#\#CIF_1.1
 
#  CIF produced by WinGX routine CIF_UPDATE
#  Created on 2020-08-03 at 09:33:12
#  Using CIFtbx version 3.0.4  1 Sep 2006
 
#  Dictionary name : cif_core.dic
#  Dictionary vers : 2.4.3
#  Request file    : c:\program files (x86)\wingx\files\archive.reqdat
#  CIF files read  : shelx project
 
#------------------ SECTION 1. GLOBAL INFORMATION ---------------------------#
 
data_global
 
#------------------ AUDIT DETAILS -------------------------------------------#
 
_audit_creation_date            2020-08-03
_audit_creation_method          'WinGX routine CIF_UPDATE'
_audit_conform_dict_name        cif_core.dic
_audit_conform_dict_version     2.4.3
_audit_conform_dict_location    ftp://ftp.iucr.org/pub/cif_core.dic
_audit_update_record            ?
 
#------------------ AUTHOR DETAILS -------------------------------------------#
 
# Name and address of author for correspondence
 
_publ_contact_author_name       ' ,  '
_publ_contact_author_address
;
 
;
_publ_contact_author_email       ' '
_publ_contact_author_fax         ' '
_publ_contact_author_phone       ' '
 
 
# Insert blank lines between references
 
_publ_section_references
;
Blessing, R. H. (1995) Acta Cryst., A51, 33-38.
 
Blessing, R. H. (1987) Cryst. Rev. 1, 3-58.
 
Blessing, R. H. (1989) J. Appl. Cryst. 22, 396-397.
 
Bruker (2012) APEX2 (Version 2012.10-0), SAINT (version 8.27B), SADABS
(version 2012/1), BrukerAXS Inc, Madison, Wisconsin, USA.
 
ABSCOR: Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
 
CAD-4 Software: Enraf-Nonius (1989). CAD-4 Software (or CAD-4 EXPRESS).
Enraf-Nonius, Delft, The Netherlands.
 
Cambridge Structural Database: Allen, F. R. (2002). Acta Cryst. B58, 380-388.
 
CAMERON: Watkin, D. J., Prout, C. K. & Pearce, L. J. (1996). CAMERON.
Chemical Crystallography Laboratory, Oxford, England.
 
CrysAlis CCD, CrysAlis RED and associated programs: Oxford Diffraction (2006).
Program name(s). Oxford Diffraction Ltd, Abingdon, England.
 
CRYSTALS: Betteridge, P. W., Carruthers, J. R., Cooper, R. I., Prout, K. &
Watkin, D. J. (2003). J. Appl. Cryst. 36, 1487.
 
COLLECT: Nonius (1998). COLLECT. Nonius BV, Delft, The Netherlands.
 
DENZO/SCALEPACK:  Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology,
Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr
& R. M. Sweet, pp. 307-326. New York: Academic Press.
 
DIAMOND: Brandenburg, K.(2006). DIAMOND. Crystal Impact GbR, Bonn, Germany.
 
DIF4 and REDU4: Stoe & Cie (1991). Program name(s). Stoe & Cie, Darmstadt,
Germany.
 
DIFABS: Walker, N. &  Stuart, D. (1983). Acta Cryst., A39, 158 - 166.
 
DIRAX: Duisenberg, A. J. M. (1992). J. Appl. Cryst. 25, 92-96.
 
DIRDIF-2008: Beurskens, P.T., Beurskens, G., de Gelder, R., Garciía-Granda,
S., Gould, R.O. & Smits, J.M.M. (2008) The DIRDIF-2008 program
system, Crystallography Laboratory, Radboud University  Nijmegen,
The Netherlands.
 
EDMA: Palatinus, L., Prathapa, S. J. & van Smaalen, S. (2012) J. Appl. Cryst.
45, 575-580.
 
enCIFer: Allen, F. H., Johnson, O., Shields, G. P., Smith, B. R. & Towler,
M. (2004). J. Appl. Cryst. 37, 335-338.
 
EVALCCD: Duisenberg, A. J. M., Kroon-Batenburg, L. M. J. & Schreurs,
A. M. M. (2003). J. Appl. Cryst. 36, 220-229.
 
JANA2000: Petricek, V. & Dusek, M. (2000). JANA2000. Institute of Physics,
Czech Academy of Sciences, Prague, Czech Republic.
 
MERCURY: Macrae, C. F., Bruno, I. J., Chisholm, J. A., Edgington,
P. R., McCabe, P., Pidcock, E., Rodriguez-Monge, L., Taylor, R.,
van de Streek, J. & Wood, P. A. (2008). J. Appl. Cryst. 41, 466-470.
 
MOGUL: Bruno, I. J., Cole, J. C., Kessler, M., Luo, J., Motherwell,
W. D. S., Purkis, L. H., Smith, B. R., Taylor, R., Cooper, R. I., Harris,
S. E. & Orpen, A. G. (2004). J. Chem. Inf. Comput. Sci. 44, 2133-2144.
 
ORTEPII: Johnson, C. K. (1976). ORTEPII. Report ORNL-5138. Oak Ridge
National Laboratory, Tennessee, USA.
 
ORTEPIII:  Burnett, M. N. & Johnson, C. K. (1996). ORTEPIII.
Report ORNL-6895. Oak Ridge National Laboratory, Tennessee, USA.
 
ORTEP-3: Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.
 
PARST: Nardelli, M. (1995). J. Appl. Cryst. 28, 659.
 
PLATON: Spek, A. L. (2009). Acta. Cryst. D65, 148-155.
 
PROCESS: Rigaku (1996). PROCESS. Rigaku Corporation, Tokyo, Japan.
 
PROCESS-AUTO: Rigaku (1998). PROCESS-AUTO. Rigaku Corporation, Tokyo, Japan.
 
PublCIF: Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.
 
SCHAKAL: Keller, E. (1999) University of Freiburg, Germany.
 
SHELX: Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
 
SHELXD: Schneider, T. R. & Sheldrick, G. M. (2002) Acta Cryst. D58, 1772-1779.
 
SIR92: Altomare, A., Cascarano, G., Giacovazzo, C., Guagliardi, A., Burla,
M. C., Polidori, G. & Camalli, M. (1994). J. Appl. Cryst. 27, 435.
 
SIR97: Altomare, A., Burla, M. C., Camalli, M., Cascarano, G. L.,
Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., Polidori, G. &
Spagna, R. (1999). J. Appl. Cryst. 32, 115-119.
 
SIR2002: Burla, M. C., Camalli, M., Carrozzini, B., Cascarano, G. L.,
Giacovazzo, C., Polidori, G. & Spagna, R. (2003). J. Appl. Cryst. 36, 1103.
 
SIR2004: Burla, M. C., Caliandro, R., Camalli, M., Carrozzini, B.,
Cascarano, G. L., De Caro, L., Giacovazzo, C., Polidori, G. & Spagna, R.
(2005). J. Appl. Cryst. 38, 381-388.
 
SIR2008 & IL MILIONE: Burla, M. C., Caliandro, R., Camalli, M., Carrozzini, B.,
Cascarano, G. L., De Caro, L., Giacovazzo, C., Polidori, G., Siliqi, D.,
& Spagna, R. (2007). J. Appl. Cryst. 40, 609-613.
 
SIR2011: Burla, M. C., Caliandro, R., Camalli, M., Carrozzini, B.,
Cascarano, G. L., Giacovazzo, C., Mallamo, M., Mazzone, A., Polidori, G.
& Spagna, R. (2012). J. Appl. Cryst. 45, 357-361.
 
SUPERFLIP: Palatinus, L. & Chapuis, G. (2007) J. Appl. Cryst. 40, 786-790.
 
TEXSAN: Molecular Structure Corporation & Rigaku (2000). TEXSAN. MSC,
The Woodlands, Texas, USA, and Rigaku Corporation, Tokyo, Japan.
 
WinGX: Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.
 
X-AREA, X-RED, X-RED32, X-SHAPE:  Stoe & Cie (2002). Program name(s).
Stoe & Cie GmbH, Darmstadt, Germany.
 
XCAD4: Harms, K. & Wocadlo, S. (1995). XCAD4. University of Marburg, Germany.
 
XSCANS: Siemens (1994). XSCANS. Siemens Analytical X-ray Instruments Inc.,
Madison, Wisconsin, USA.
 
;
 
#------------------  SECTION 2. COMPOUND(S) DETAILS -------------------------#
 
data_shelx
 
_audit_creation_date                    2020-08-03T09:33:12-00:00
_audit_creation_method                  'WinGX routine CIF_UPDATE'
_audit_conform_dict_name                cif_core.dic
_audit_conform_dict_version             2.4.3
_audit_conform_dict_location            ftp://ftp.iucr.org/pub/cif_core.dic
_publ_requested_category                FI
 
#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#
 
_chemical_formula_sum                   'Cr P2 Rb S7'
_chemical_formula_weight                423.83
_chemical_absolute_configuration        unk
 
#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#
 
_symmetry_cell_setting                  monoclinic
_symmetry_space_group_name_H-M          'C 2'
_symmetry_space_group_name_Hall         'C 2y'
_symmetry_Int_Tables_number             5
loop_
    _symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
 
_cell_length_a                          8.5330(7)
_cell_length_b                          9.5531(7)
_cell_length_c                          6.4422(5)
_cell_angle_alpha                       90
_cell_angle_beta                        97.669(4)
_cell_angle_gamma                       90
_cell_volume                            520.45(7)
_cell_formula_units_Z                   2
_cell_measurement_temperature           293(2)
_cell_measurement_reflns_used           6751
_cell_measurement_theta_min             2.91
_cell_measurement_theta_max             27.48
_cell_measurement_wavelength            0.71073
 
#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#
 
_exptl_crystal_size_max                 0.172
_exptl_crystal_size_mid                 0.076
_exptl_crystal_size_min                 0.02
_exptl_crystal_density_diffrn           2.705
_exptl_crystal_density_method           'not measured'
_exptl_crystal_F_000                    406
 
#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#
 
_exptl_absorpt_coefficient_mu           7.387
_exptl_absorpt_correction_type          multi-scan
_exptl_absorpt_process_details
;
        [c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_absorpt_correction_T_min         0.265
_exptl_absorpt_correction_T_max         0.489
_shelx_estimated_absorpt_T_min          0.363
_shelx_estimated_absorpt_T_max          0.866
 
#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#
 
_diffrn_source                          'Enraf Nonius FR590'
_diffrn_ambient_temperature             293(2)
_diffrn_radiation_wavelength            0.71073
_diffrn_radiation_type                  MoK\a
_diffrn_radiation_monochromator         'horizonally mounted graphite crystal'
_diffrn_radiation_probe                 x-ray
_diffrn_detector                        'CCD plate'
_diffrn_detector_area_resol_mean        9
_diffrn_orient_matrix_ub_11             -0.012827
_diffrn_orient_matrix_ub_12             0.103886
_diffrn_orient_matrix_ub_13             0.006653
_diffrn_orient_matrix_ub_21             0.055019
_diffrn_orient_matrix_ub_22             0.010653
_diffrn_orient_matrix_ub_23             -0.126765
_diffrn_orient_matrix_ub_31             -0.103882
_diffrn_orient_matrix_ub_32             -0.007185
_diffrn_orient_matrix_ub_33             -0.091752
_diffrn_measurement_device              '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type         KappaCCD
_diffrn_measurement_method              'CCD rotation images, thick slices'
_diffrn_standards_number                0
_diffrn_standards_interval_time         .
_diffrn_standards_interval_count        .
_diffrn_standards_decay_%               ?
_diffrn_reflns_av_R_equivalents         0.0628
_diffrn_reflns_av_unetI/netI            0.0626
_diffrn_reflns_number                   3093
_diffrn_reflns_limit_h_min              -11
_diffrn_reflns_limit_h_max              10
_diffrn_reflns_limit_k_min              -10
_diffrn_reflns_limit_k_max              12
_diffrn_reflns_limit_l_min              -8
_diffrn_reflns_limit_l_max              8
_diffrn_reflns_theta_min                3.191
_diffrn_reflns_theta_max                27.443
_diffrn_reflns_theta_full               25.242
_diffrn_measured_fraction_theta_full
                                        1
_diffrn_measured_fraction_theta_max
                                        0.935
_diffrn_reflns_Laue_measured_fraction_full
                                        1
_diffrn_reflns_Laue_measured_fraction_max
                                        0.935
_diffrn_reflns_point_group_measured_fraction_full
                                        1
_diffrn_reflns_point_group_measured_fraction_max
                                        0.928
_reflns_Friedel_fraction_full           1
_reflns_Friedel_fraction_max            0.919
_reflns_Friedel_coverage                0.876
_reflns_number_total                    1100
_reflns_number_gt                       1005
_reflns_threshold_expression            'I > 2σ(I)'
 
#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#
 
_computing_data_collection              'Collect (Bruker AXS BV, 1997-2004)'
_computing_cell_refinement
                                       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction
                             'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_structure_solution           'SHELXT-2014 (Sheldrick, 2014)'
_computing_structure_refinement         'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics           'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material
                                   'WinGX publication routines (Farrugia, 2012)'
 
#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#
 
_atom_sites_solution_primary            dual
_atom_sites_solution_secondary          dual
 
#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#
 
_refine_special_details
;
 Refined as a 2-component twin.
;
_refine_ls_structure_factor_coef        Fsqd
_refine_ls_matrix_type                  full
_refine_ls_weighting_scheme             calc
_refine_ls_weighting_details
             'w=1/[σ²(Fo²)+(0.0698P)²+13.3264P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment           undef
_refine_ls_extinction_method            none
_refine_ls_number_reflns                1100
_refine_ls_number_parameters            53
_refine_ls_number_restraints            1
_refine_ls_number_constraints           0
_refine_ls_R_factor_all                 0.0669
_refine_ls_R_factor_gt                  0.0597
_refine_ls_wR_factor_ref                0.1661
_refine_ls_wR_factor_gt                 0.162
_refine_ls_goodness_of_fit_ref          1.14
_refine_ls_restrained_S_all             1.14
_refine_ls_shift/su_max                 0
_refine_ls_shift/su_mean                0
_refine_ls_abs_structure_details
;
 Flack x determined using 378 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack          0.024(13)
_refine_diff_density_max                2.237
_refine_diff_density_min                -1.047
_refine_diff_density_rms                0.262
 
#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#
 
 
#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#
 
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
Cr Cr 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rb Rb -0.9393 2.9676 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
loop_
    _atom_site_label
    _atom_site_type_symbol
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_occupancy
    _atom_site_site_symmetry_order
    _atom_site_calc_flag
    _atom_site_refinement_flags_posn
    _atom_site_refinement_flags_adp
    _atom_site_refinement_flags_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
Rb01 Rb 0 0.2987(4) 0 0.0488(9) Uani 1 2 d S T P . .
Cr02 Cr 0 0.7001(3) 0.5 0.0198(8) Uani 1 2 d S T P . .
P003 P 0.2997(4) 0.5471(4) 0.4221(6) 0.0183(8) Uani 1 1 d . . . . .
S004 S 0.5 0.6796(6) 0.5 0.0231(12) Uani 1 2 d S T P . .
S005 S 0.1601(4) 0.6724(4) 0.2216(6) 0.0235(9) Uani 1 1 d . . . . .
S006 S 0.3586(5) 0.3751(5) 0.2741(7) 0.0276(10) Uani 1 1 d . . . . .
S007 S 0.1840(5) 0.5291(5) 0.6732(7) 0.0271(9) Uani 1 1 d . . . . .
 
 
 
#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#
 
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_distance
    _geom_bond_site_symmetry_2
    _geom_bond_publ_flag
Rb01 S006 3.402(4) 2 ?
Rb01 S006 3.402(4) . ?
Rb01 S004 3.416(3) 3_444 ?
Rb01 S004 3.416(3) 3_445 ?
Rb01 S007 3.553(5) 2_556 ?
Rb01 S007 3.553(5) 1_554 ?
Rb01 S005 3.607(4) 3_445 ?
Rb01 S005 3.607(4) 4_545 ?
Cr02 S005 2.410(4) 2_556 ?
Cr02 S005 2.410(4) . ?
Cr02 S006 2.428(5) 4_556 ?
Cr02 S006 2.428(5) 3_455 ?
Cr02 S007 2.431(5) . ?
Cr02 S007 2.431(5) 2_556 ?
P003 S006 1.997(6) . ?
P003 S007 2.012(6) . ?
P003 S005 2.027(6) . ?
P003 S004 2.132(5) . ?
S004 P003 2.132(5) 2_656 ?
S004 Rb01 3.416(3) 3_556 ?
S004 Rb01 3.416(3) 3 ?
S005 Rb01 3.607(4) 3 ?
S006 Cr02 2.428(5) 3_545 ?
S007 Rb01 3.553(5) 1_556 ?
 
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle_publ_flag
S006 Rb01 S006 155.24(19) 2 . ?
S006 Rb01 S004 72.25(9) 2 3_444 ?
S006 Rb01 S004 116.60(7) . 3_444 ?
S006 Rb01 S004 116.60(7) 2 3_445 ?
S006 Rb01 S004 72.25(9) . 3_445 ?
S004 Rb01 S004 141.1(2) 3_444 3_445 ?
S006 Rb01 S007 74.74(11) 2 2_556 ?
S006 Rb01 S007 89.86(11) . 2_556 ?
S004 Rb01 S007 145.15(12) 3_444 2_556 ?
S004 Rb01 S007 65.92(11) 3_445 2_556 ?
S006 Rb01 S007 89.86(11) 2 1_554 ?
S006 Rb01 S007 74.74(11) . 1_554 ?
S004 Rb01 S007 65.92(11) 3_444 1_554 ?
S004 Rb01 S007 145.15(12) 3_445 1_554 ?
S007 Rb01 S007 103.44(17) 2_556 1_554 ?
S006 Rb01 S005 64.04(9) 2 3_445 ?
S006 Rb01 S005 125.54(10) . 3_445 ?
S004 Rb01 S005 111.28(11) 3_444 3_445 ?
S004 Rb01 S005 54.14(7) 3_445 3_445 ?
S007 Rb01 S005 62.00(10) 2_556 3_445 ?
S007 Rb01 S005 152.13(12) 1_554 3_445 ?
S006 Rb01 S005 125.54(10) 2 4_545 ?
S006 Rb01 S005 64.04(9) . 4_545 ?
S004 Rb01 S005 54.14(7) 3_444 4_545 ?
S004 Rb01 S005 111.28(11) 3_445 4_545 ?
S007 Rb01 S005 152.13(12) 2_556 4_545 ?
S007 Rb01 S005 62.00(10) 1_554 4_545 ?
S005 Rb01 S005 140.91(18) 3_445 4_545 ?
S005 Cr02 S005 167.4(3) 2_556 . ?
S005 Cr02 S006 85.15(14) 2_556 4_556 ?
S005 Cr02 S006 103.64(16) . 4_556 ?
S005 Cr02 S006 103.64(16) 2_556 3_455 ?
S005 Cr02 S006 85.15(14) . 3_455 ?
S006 Cr02 S006 93.0(2) 4_556 3_455 ?
S005 Cr02 S007 88.86(15) 2_556 . ?
S005 Cr02 S007 82.65(14) . . ?
S006 Cr02 S007 87.06(16) 4_556 . ?
S006 Cr02 S007 167.46(14) 3_455 . ?
S005 Cr02 S007 82.66(14) 2_556 2_556 ?
S005 Cr02 S007 88.86(15) . 2_556 ?
S006 Cr02 S007 167.46(14) 4_556 2_556 ?
S006 Cr02 S007 87.06(16) 3_455 2_556 ?
S007 Cr02 S007 95.6(3) . 2_556 ?
S006 P003 S007 119.7(3) . . ?
S006 P003 S005 110.2(3) . . ?
S007 P003 S005 104.7(2) . . ?
S006 P003 S004 110.9(2) . . ?
S007 P003 S004 109.0(2) . . ?
S005 P003 S004 100.6(2) . . ?
P003 S004 P003 107.1(3) . 2_656 ?
P003 S004 Rb01 108.59(12) . 3_556 ?
P003 S004 Rb01 94.39(12) 2_656 3_556 ?
P003 S004 Rb01 94.39(12) . 3 ?
P003 S004 Rb01 108.59(12) 2_656 3 ?
Rb01 S004 Rb01 141.1(2) 3_556 3 ?
P003 S005 Cr02 86.22(18) . . ?
P003 S005 Rb01 90.84(16) . 3 ?
Cr02 S005 Rb01 145.43(18) . 3 ?
P003 S006 Cr02 114.6(2) . 3_545 ?
P003 S006 Rb01 99.09(19) . . ?
Cr02 S006 Rb01 120.27(18) 3_545 . ?
P003 S007 Cr02 85.97(19) . . ?
P003 S007 Rb01 146.4(2) . 1_556 ?
Cr02 S007 Rb01 112.27(15) . 1_556 ?
 
 
# END of CIF
