Zero to Three Dimensional Increase of Silver(I) Coordination Assemblies Controlled by Deprotonation of 1,3,5-Tri(2-benzimidazolyl)benzene and Aggregation of Multinuclear Building Units
Xiang-Ping Li; Jian-Yong Zhang; Mei Pan; Sheng-Run Zheng; Yu Liu; Cheng-Yong Su; Inorganic Chemistry 46 (2007) 4617–4625; doi:10.1021/ic070309k

data_4308245
_publ_section_title
;
Zero to Three Dimensional Increase of Silver(I) Coordination Assemblies
Controlled by Deprotonation of 1,3,5-Tri(2-benzimidazolyl)benzene and
Aggregation of Multinuclear Building Units
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4617
_journal_page_last               4625
_journal_paper_doi               10.1021/ic070309k
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C56 H36 Ag2 F6 N12 O6 S2'
_chemical_formula_weight         1366.83
_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           SHELXL-97
_cell_angle_alpha                87.87(3)
_cell_angle_beta                 85.77(3)
_cell_angle_gamma                83.79(3)
_cell_formula_units_Z            1
_cell_length_a                   9.4460(19)
_cell_length_b                   11.592(2)
_cell_length_c                   12.042(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      8
_cell_volume                     1306.7(4)
_computing_cell_refinement       'CAD4 Express (Enraf Nonius, 1994)'
_computing_data_collection       'CAD4 Express (Enraf Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Enraf Nonius FR590'
_diffrn_measurement_method       '\w scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enraf Nonius FR590'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_sigmaI/netI    0.0335
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5456
_diffrn_reflns_theta_full        25.97
_diffrn_reflns_theta_max         25.97
_diffrn_reflns_theta_min         2.17
_diffrn_standards_interval_count 400
_diffrn_standards_interval_time  3600
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.918
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.737
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             684
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.740
_refine_diff_density_min         -1.031
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_refine_ls_number_parameters     391
_refine_ls_number_reflns         5128
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_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0657
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_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0733P)^2^+2.5882P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1258
_refine_ls_wR_factor_ref         0.1364
_reflns_number_gt                4162
_reflns_number_total             5128
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic070309k-file003_1.cif
_cod_data_source_block           p-1
_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 
;
_cod_original_cell_volume        1306.7(5)
_cod_database_code               4308245