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_4320941
_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         'C12 H6 Ag2 F9 I2 N O10 S3 '
_chemical_formula_sum            'C12 H6 Ag2 F9 I2 N O10 S3'
_chemical_formula_weight         1060.89
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             'Sun Feb 21 05:02:58 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 110.0051(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.611(1)
_cell_length_b                   22.806(3)
_cell_length_c                   11.9415(1)
_cell_measurement_reflns_used    6487
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.5
_cell_volume                     2971.3(5)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control'
_computing_data_collection       'Rigaku/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_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_sigmaI/netI    0.014
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6487
_diffrn_reflns_reduction_process 'Lp corrections applied'
_exptl_absorpt_coefficient_mu    3.703
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.371
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1976.00
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.200
_refine_diff_density_max         3.35
_refine_diff_density_min         -2.00
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.811
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         6466
_refine_ls_R_factor_all          0.0925
_refine_ls_R_factor_gt           0.0752
_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          0.2175
_refine_ls_wR_factor_ref         0.2347
_reflns_number_gt                5122
_reflns_number_total             6487
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ic991261g_4.cif
_cod_data_source_block           '[Ag2(H2L3)(CF3SO3)3]'
_cod_original_cell_volume        2971.3(3)
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_original_formula_sum        'C12 H6 Ag2 F9 I2 N O10 S3 '
_cod_database_code               4320941