Three-dimensional silver(I) co-ordination polymer with pocket structures
Suenaga, Yusaku; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Munakata, Megumu; Journal of the Chemical Society, Dalton Transactions  (2000) 3620–; doi:10.1039/b003944f

data_7009834
_publ_section_title
;
 Three-dimensional silver(I) co-ordination polymer with pocket
 structures
;
_journal_issue                   20
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3620
_journal_paper_doi               10.1039/b003944f
_journal_year                    2000
_chemical_formula_moiety         'C42 H30 Ag N O3 S6 '
_chemical_formula_sum            'C42 H30 Ag N O3 S6'
_chemical_formula_weight         896.93
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                93.514(6)
_cell_angle_beta                 92.144(3)
_cell_angle_gamma                115.429(1)
_cell_formula_units_Z            2
_cell_length_a                   9.302(1)
_cell_length_b                   10.639(2)
_cell_length_c                   21.118(6)
_cell_measurement_reflns_used    8072
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.5
_cell_volume                     1879.2(7)
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9381
_diffrn_measured_fraction_theta_max 0.9381
_diffrn_measurement_device_type  'Quantum CCD/Rigaku AFC7'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.019
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            8072
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_exptl_absorpt_coefficient_mu    0.911
_exptl_absorpt_correction_T_max  0.834
_exptl_absorpt_correction_T_min  0.709
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.585
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       brick
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.43
_refine_diff_density_min         -0.79
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.457
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     478
_refine_ls_number_reflns         8067
_refine_ls_R_factor_gt           0.0304
_refine_ls_shift/su_max          0.0029
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.06000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1132
_reflns_number_gt                6860
_reflns_number_total             8067
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b003944f.txt
_cod_data_source_block           agno3-hphb
_cod_original_cell_volume        1879.1(5)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C42 H30 Ag N O3 S6 '
_cod_database_code               7009834