Poly[[silver(I)-di-μ-1,5-bis(phenylthio)pentane] hexafluorophosphate]: a two-dimensional molecular-rectangle coordination ploymer
Chen, Wei; Du, Miao; Zhang, Ruo-Hua; Bu, Xian-He; Acta Crystallographica Section E 57 (2001) m213–m215; doi:10.1107/S1600536801006560

data_2200300
_publ_section_title
;
 Poly[[silver(I)-di-\m-1,5-bis(phenylthio)pentane]
 hexafluorophosphate]: a two-dimensional molecular-rectangle
 coordination ploymer
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m213
_journal_page_last               m215
_journal_paper_doi               10.1107/S1600536801006560
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Ag (C17 H20 S2)2] P F6'
_chemical_formula_moiety         'C34 H40 Ag S4 1+, F1 P6 1-'
_chemical_formula_sum            'C34 H40 Ag F6 P S4'
_chemical_formula_weight         829.74
_chemical_name_systematic
;
Poly[[silver(I)-di-\m-1,5-bis(phenylthio)pentane] hexafluorophosphate]
;
_space_group_IT_number           7
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 103.161(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.3876(10)
_cell_length_b                   10.2213(11)
_cell_length_c                   19.640(2)
_cell_measurement_reflns_used    7412
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.03
_cell_measurement_theta_min      1.99
_cell_volume                     1835.0(3)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_publication_material  'XP (Bruker, 1998)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 46.08
_diffrn_measured_fraction_theta_max 25.03
_diffrn_measurement_device       'Bruker SMART1000'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0223
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            7412
_diffrn_reflns_theta_full        46.08
_diffrn_reflns_theta_max         25.03
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    .874
_exptl_absorpt_correction_T_max  .8445
_exptl_absorpt_correction_T_min  .7794
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'[SAINT (Bruker 1998) and SADABS (Sheldrick, 1997)]'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.502
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             848
_exptl_crystal_size_max          .30
_exptl_crystal_size_mid          .20
_exptl_crystal_size_min          .20
_refine_diff_density_max         .520
_refine_diff_density_min         -.347
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     415
_refine_ls_number_reflns         5142
_refine_ls_R_factor_all          .0418
_refine_ls_R_factor_gt           .0340
_refine_ls_shift/su_max          .019
_refine_ls_shift/su_mean         .002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0554P)^2^+0.1885P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .0892
_reflns_number_gt                4522
_reflns_number_total             5142
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cv6019.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P c'
_cod_database_code               2200300
_cod_database_fobs_code          2200300