Synthesis and structural systematics of mixed triphenylphosphine/imidazole base adducts of silver(I) oxyanion salts †
Cingolani, Augusto; Effendy,; Marchetti, Fabio; Pettinari, Claudio; Skelton, Brian W.; White, Allan H.; Journal of the Chemical Society, Dalton Transactions  (1999) 4047–; doi:10.1039/a906624a

data_7702424
_publ_section_title
;
 Synthesis and structural systematics of mixed
 triphenylphosphine/imidazole base adducts of silver(I) oxyanion
 salts&#x200A;&#x2020;
;
_journal_issue                   22
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              4047
_journal_paper_doi               10.1039/a906624a
_journal_year                    1999
_chemical_formula_structural     '[(Ph3P)AgSO3CH3(C4H6N2)]2'
_chemical_formula_sum            'C46 H48 Ag2 N4 O6 P2 S2'
_chemical_formula_weight         1094.73
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 117.8880(10)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   29.421(3)
_cell_length_b                   9.2700(10)
_cell_length_c                   19.122(2)
_cell_measurement_reflns_used    7497
_cell_measurement_temperature    153
_cell_measurement_theta_max      28
_cell_measurement_theta_min      2
_cell_volume                     4609.5(8)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        'xtal ADDREF SORTRF'
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    xtal
_diffrn_ambient_temperature      153
_diffrn_measurement_device_type
;
Bruker SMART CCD diffractometer
;
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_detector       'CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  0.021
_diffrn_reflns_av_sigmaI/netI    .02
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            26676
_diffrn_reflns_theta_max         29.11
_diffrn_reflns_theta_min         1.57
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.062
_exptl_absorpt_correction_T_max  0.928
_exptl_absorpt_correction_T_min  0.774
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.577
_exptl_crystal_description       prism
_exptl_crystal_F_000             2224
_exptl_crystal_size_max          .35
_exptl_crystal_size_mid          .25
_exptl_crystal_size_min          .08
_refine_diff_density_max         .664
_refine_diff_density_min         -.354
_refine_ls_extinction_coef       1027(207)
_refine_ls_extinction_expression 'Eq22 p292 "Cryst. Comp." Munksgaard 1970'
_refine_ls_extinction_method     Zachariasen
_refine_ls_goodness_of_fit_all   1.057
_refine_ls_goodness_of_fit_ref   1.08
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     377
_refine_ls_number_reflns         5209
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .027
_refine_ls_R_factor_gt           .023
_refine_ls_shift/su_max          .031
_refine_ls_shift/su_mean         .001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .034
_refine_ls_wR_factor_ref         .032
_reflns_d_resolution_high        .731
_reflns_d_resolution_low         12.968
_reflns_Friedel_coverage         0
_reflns_limit_h_max              39
_reflns_limit_h_min              0
_reflns_limit_k_max              12
_reflns_limit_k_min              0
_reflns_limit_l_max              22
_reflns_limit_l_min              -25
_reflns_number_gt                5209
_reflns_number_total             5800
_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            906624a.txt
_cod_data_source_block           cp8
_cod_original_sg_symbol_Hall     -c_2yc
_cod_original_sg_symbol_H-M      C_2/c
_cod_database_code               7702424