Di-μ-chlorido-bis{[1,2-bis(diphenylphosphino)-1,2-dicarba-<i>closo</i>-dodecaborane-κ^2^<i>P</i>,<i>P</i>']silver(I)} dichloromethane disolvate
Dao-Peng Zhang; Jian-Min Dou; Da-Cheng Li; Da-Qi Wang; Acta Crystallographica Section E 63 (2007) m1086–m1088; doi:10.1107/S1600536807007088

data_2212857
_publ_section_title
;Di-\m-chlorido-bis{[1,2-bis(diphenylphosphino)-1,2-dicarba-<i>closo</i>-dodecaborane-\k^2^<i>P</i>,<i>P</i>']silver(I)}
 dichloromethane disolvate
;
_journal_coeditor_code           ER2021
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1086
_journal_page_last               m1088
_journal_paper_doi               10.1107/S1600536807007088
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ag2 Cl2 (C26 H30 B10 P2)2] , 2C H2 Cl2'
_chemical_formula_moiety         'C52 H60 Ag2 B20 Cl2 P4 , 2C H2 Cl2'
_chemical_formula_sum            'C54 H64 Ag2 B20 Cl6 P4'
_chemical_formula_weight         1481.57
_chemical_name_systematic
;
Di-\m-chloro-bis{[1,2-bis(diphenylphosphino)-1,2-dicarba-closo-dodecaborane-
\k^2^P,P']silver(I)} dichloromethane disolvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                86.838(2)
_cell_angle_beta                 82.515(2)
_cell_angle_gamma                86.999(2)
_cell_formula_units_Z            1
_cell_length_a                   10.0887(14)
_cell_length_b                   11.9737(16)
_cell_length_c                   13.9695(19)
_cell_measurement_reflns_used    4742
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.315
_cell_measurement_theta_min      2.357
_cell_volume                     1668.8(4)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2000)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 10
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \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  0.0166
_diffrn_reflns_av_sigmaI/netI    0.0345
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8811
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.04
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.960
_exptl_absorpt_correction_T_max  0.7059
_exptl_absorpt_correction_T_min  0.6774
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2002)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.474
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             744
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.41
_exptl_crystal_size_min          0.39
_refine_diff_density_max         0.944
_refine_diff_density_min         -0.992
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         5805
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.541
_refine_ls_R_factor_all          0.0501
_refine_ls_R_factor_gt           0.0387
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0499P)^2^+2.3776P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0957
_refine_ls_wR_factor_ref         0.1048
_reflns_number_gt                4806
_reflns_number_total             5805
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            er2021.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 'Triclinic' changed to 'triclinic'
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 
;
_cod_database_code               2212857
_cod_database_fobs_code          2212857