Structural Studies of Silver(I) Coordination Polymers with Aryl Iodide Derived Ligands
Ichiro Ino; Liang Ping Wu; Megumu Munakata; Masahiko Maekawa; Yusaku Suenaga; Takayoshi Kuroda-Sowa; Yoshinobu Kitamori; Inorganic Chemistry 39 (2000) 2146–2151; doi:10.1021/ic991261g

data_4320940
_publ_section_title
;
 Structural Studies of Silver(I) Coordination Polymers with Aryl Iodide
 Derived Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2146
_journal_page_last               2151
_journal_paper_doi               10.1021/ic991261g
_journal_volume                  39
_journal_year                    2000
_chemical_formula_moiety         'C18 H12 Ag Cl I3 N O4 '
_chemical_formula_sum            'C18 H12 Ag Cl I3 N O4'
_chemical_formula_weight         830.33
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             'Sun Feb 21 05:06:44 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 116.080(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.854(4)
_cell_length_b                   20.176(6)
_cell_length_c                   10.9803(8)
_cell_measurement_reflns_used    4842
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.5
_cell_volume                     2159.7(10)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      296.2
_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_sigmaI/netI    0.007
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4842
_diffrn_reflns_reduction_process 'Lp corrections applied'
_exptl_absorpt_coefficient_mu    5.369
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.553
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1528.00
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.98
_refine_diff_density_min         -1.71
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.770
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         4834
_refine_ls_R_factor_all          0.0379
_refine_ls_R_factor_gt           0.0338
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo^2^) + 0.00360(Fo^2^)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1184
_refine_ls_wR_factor_ref         0.1225
_reflns_number_gt                4418
_reflns_number_total             4842
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ic991261g_3.cif
_cod_data_source_block           '[Ag(L2)(ClO4)]'
_cod_original_cell_volume        2159.7(8)
_cod_original_sg_symbol_H-M      'P 21/n '
_cod_original_formula_sum        'C18 H12 Ag Cl I3 N O4 '
_cod_database_code               4320940