Three-Dimensional Coordination Polymer of Silver(I) with Bridging Ligand Hexakis(4-pyridyl)[3]radialene
Matsumoto, Kouzou; Harada, Yukako; Yamada, Nao; Kurata, Hiroyuki; Kawase, Takeshi; Oda, Masaji; Crystal Growth & Design 6 (2006) 1083–; doi:10.1021/cg060073f

data_4504825
_publ_section_title
;
 Three-Dimensional Coordination Polymer of Silver(I) with Bridging Ligand
 Hexakis(4-pyridyl)[3]radialene
;
_journal_issue                   5
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              1083
_journal_paper_doi               10.1021/cg060073f
_journal_volume                  6
_journal_year                    2006
_chemical_formula_moiety         'C39 H34 Ag Cl N6 O6 S '
_chemical_formula_sum            'C39 H34 Ag Cl N6 O6 S'
_chemical_formula_weight         858.12
_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'
_cell_angle_alpha                90
_cell_angle_beta                 107.341(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.147(2)
_cell_length_b                   25.605(4)
_cell_length_c                   13.295(3)
_cell_measurement_reflns_used    25708
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      3.1
_cell_volume                     3622.2(12)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 2.0'
_computing_publication_material  'teXsan Ver. 2.0'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       w
_diffrn_radiation_type           'Mo Ka'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.033
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            33881
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    0.744
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.573
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1752.00
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.300
_refine_diff_density_max         4.12
_refine_diff_density_min         -2.39
_refine_ls_extinction_coef       0.0000
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^l^3^/sin(2q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     496
_refine_ls_number_reflns         8285
_refine_ls_R_factor_gt           0.0635
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[s^2^(Fo^2^) + (0.0681P)^2^+9.8432P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1742
_reflns_number_gt                6633
_reflns_number_total             8285
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            cg060073fsi20060403_113639.cif
_cod_data_source_block           km050427
_cod_original_cell_volume        3622(4)
_cod_original_sg_symbol_H-M      'P 21/n       '
_cod_original_formula_sum        'C39 H34 Ag Cl N6 O6 S '
_cod_database_code               4504825