Bis[μ-methylenebis(diphenylphosphine)-<i>P</i>:<i>P</i>']disilver(I) Diperchlorate Bis(dichloromethane) Solvate
Ahrens, Birte; Jones, Peter G.; Acta Crystallographica Section C 54 (1998) 16–18; doi:10.1107/S0108270197011657

data_2006918
_publ_section_title
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 Bis[\m-methylenebis(diphenylphosphine)-<i>P</i>:<i>P</i>']disilver(I)
 Diperchlorate Bis(dichloromethane) Solvate
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              16
_journal_page_last               18
_journal_paper_doi               10.1107/S0108270197011657
_journal_volume                  54
_journal_year                    1998
_chemical_formula_iupac          '[Ag2 (C25 H22 P2)2] (Cl O4)2 , 2C H2 Cl2'
_chemical_formula_moiety         '[Ag2 (C25 H22 P2)2] 2Cl O4 , 2C H2 Cl2'
_chemical_formula_sum            'C52 H48 Ag2 Cl6 O8 P4'
_chemical_formula_weight         1353.22
_chemical_name_systematic
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 Bis-\m-[methylenebis(diphenylphosphine)]disilver(I) Bisperchlorate
 Bis(dichloromethane) Solvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 107.548(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.6819(14)
_cell_length_b                   15.2304(16)
_cell_length_c                   16.349(2)
_cell_measurement_reflns_used    63
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      4.5
_cell_volume                     2773.5(6)
_computing_cell_refinement       XSCANS
_computing_data_collection       'Siemens (Reference?) XSCANS; Fait (1991)?'
_computing_data_reduction        XSCANS
_computing_molecular_graphics    'XP (Siemens, 1994b)'
_computing_publication_material  SHELXL93
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0286
_diffrn_reflns_av_sigmaI/netI    0.0664
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       1
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            5061
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         3.01
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 247
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.162
_exptl_absorpt_correction_T_max  0.870
_exptl_absorpt_correction_T_min  0.741
_exptl_absorpt_correction_type   'psi-scans (XEMP; Siemens 1994a)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.620
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1360
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.432
_refine_diff_density_min         -0.393
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.863
_refine_ls_goodness_of_fit_obs   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         4869
_refine_ls_number_restraints     32
_refine_ls_restrained_S_all      0.860
_refine_ls_restrained_S_obs      0.999
_refine_ls_R_factor_all          0.0678
_refine_ls_R_factor_obs          .0358
_refine_ls_shift/esd_max         -0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0314P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0730
_refine_ls_wR_factor_obs         .0671
_reflns_number_observed          3161
_reflns_number_total             4869
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            fg1371.cif
_cod_data_source_block           nordern
_cod_depositor_comments
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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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0314P)^2^] where P=(Fo^2^+2Fc^2^)/3' was changed
to 'calc'. New tag '_refine_ls_weighting_details' was created. The
value of the new tag was set to 'w=1/[\s^2^(Fo^2^)+(0.0314P)^2^]
where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2006918