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_7009833
_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_sum            'C42 H30 Ag2 F12 P2 S6'
_chemical_formula_weight         1232.72
_space_group_IT_number           24
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      24
_symmetry_space_group_name_Hall  'I 2b 2c'
_symmetry_space_group_name_H-M   'I 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   19.086(8)
_cell_length_b                   19.060(1)
_cell_length_c                   25.9042(7)
_cell_measurement_temperature    200.2
_cell_volume                     9423(4)
_computing_cell_refinement       D*TREK
_computing_data_collection       D*TREK
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR88
_diffrn_measured_fraction_theta_full 0.9690
_diffrn_measured_fraction_theta_max 0.9690
_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_limit_h_max       24
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5721
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_exptl_absorpt_coefficient_mu    1.241
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.738
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.94
_refine_diff_density_min         -0.86
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.484
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     581
_refine_ls_number_reflns         5648
_refine_ls_R_factor_gt           0.0451
_refine_ls_shift/su_max          0.0011
_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         0.1190
_reflns_number_gt                4867
_reflns_number_total             5687
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b003944f.txt
_cod_data_source_block           AgPF6-hphb(2-butanone)
_cod_original_cell_volume        9423(3)
_cod_original_sg_symbol_H-M      'I 21 21 21   '
_cod_original_formula_sum        'C42 H30 Ag2 F12 P2 S6 '
_cod_database_code               7009833