<i>catena</i>-Poly[[(4,7-diphenyl-1,10-phenanthroline)cadmium(II)]-μ-4,4'-oxydibenzoato]
Mao-Liang Xu; Rui Zhou; Ge-Yang Wang; Acta Crystallographica Section E 63 (2007) m3135–m3135; doi:10.1107/S1600536807060266

data_2216497
_publ_section_title
<i>catena</i>-Poly[[(4,7-diphenyl-1,10-phenanthroline)cadmium(II)]-\m-4,4'-oxydibenzoato]
_journal_coeditor_code           HB2643
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3135
_journal_page_last               m3135
_journal_paper_doi               10.1107/S1600536807060266
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cd (C14 H8 O5) (C24 H16 N2)]'
_chemical_formula_moiety         'C38 H24 Cd N2 O5'
_chemical_formula_sum            'C38 H24 Cd N2 O5'
_chemical_formula_weight         700.99
_chemical_name_systematic
;
catena-Poly[[(4,7-diphenyl-1,10-phenanthroline)cadmate(II)]-
\m-4,4'-oxydibenzoato]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.85(3)
_cell_angle_beta                 108.06(3)
_cell_angle_gamma                96.34(3)
_cell_formula_units_Z            2
_cell_length_a                   10.727(2)
_cell_length_b                   10.960(2)
_cell_length_c                   13.375(3)
_cell_measurement_reflns_used    13489
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.01
_cell_volume                     1480.0(6)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        PROCESS-AUTO
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 1990)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       '\w scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0222
_diffrn_reflns_av_sigmaI/netI    0.0289
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14656
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.21
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.788
_exptl_absorpt_correction_T_max  0.846
_exptl_absorpt_correction_T_min  0.778
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.573
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             708
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.449
_refine_diff_density_min         -0.396
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.167
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         6675
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.167
_refine_ls_R_factor_all          0.0341
_refine_ls_R_factor_gt           0.0286
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0406P)^2^+0.2630P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0749
_refine_ls_wR_factor_ref         0.0779
_reflns_number_gt                5903
_reflns_number_total             6675
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2643.cif
_cod_data_source_block           I
_cod_original_cell_volume        1480.0(5)
_cod_database_code               2216497
_cod_database_fobs_code          2216497