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_4504824
_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         'C48 H36 N6 O4 '
_chemical_formula_sum            'C48 H36 N6 O4'
_chemical_formula_weight         760.85
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             'Wed May 11 12:15:01 2005'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 110.83(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.001(7)
_cell_length_b                   13.615(6)
_cell_length_c                   16.927(6)
_cell_measurement_reflns_used    12803
_cell_measurement_temperature    200.2
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.0
_cell_volume                     3877(3)
_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    SHELXS86
_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  0.052
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            18858
_diffrn_reflns_theta_max         27.43
_exptl_absorpt_coefficient_mu    0.085
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.303
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       unknown
_exptl_crystal_F_000             1592.00
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.300
_refine_diff_density_max         0.21
_refine_diff_density_min         -0.24
_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   1.097
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     263
_refine_ls_number_reflns         4397
_refine_ls_R_factor_gt           0.0456
_refine_ls_shift/su_max          -0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[s^2^(Fo^2^) + (0.0652P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1245
_reflns_number_gt                3220
_reflns_number_total             4397
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            cg060073fsi20060403_113639.cif
_cod_data_source_block           matsumoto913
_cod_original_cell_volume        3877(9)
_cod_original_sg_symbol_H-M      'C 2/c        '
_cod_original_formula_sum        'C48 H36 N6 O4 '
_cod_database_code               4504824