<i>catena</i>-Poly[[(dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine)cadmium(II)]-μ-biphenyl-2,2'-dicarboxylato]
Xiang-Jun Jin; Wei Fang; Xiao-Ping Li; Acta Crystallographica Section E 63 (2007) m2877–m2877; doi:10.1107/S1600536807052786

data_2216468
_publ_section_title
<i>catena</i>-Poly[[(dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine)cadmium(II)]-\m-biphenyl-2,2'-dicarboxylato]
_journal_coeditor_code           HB2577
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2877
_journal_page_last               m2877
_journal_paper_doi               10.1107/S1600536807052786
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cd (C14 H8 O4) (C18 H10 N4)]'
_chemical_formula_moiety         'C32 H18 Cd N4 O4'
_chemical_formula_sum            'C32 H18 Cd N4 O4'
_chemical_formula_weight         634.90
_chemical_name_systematic
;
catena-Poly[[(dipyrido[3,2-a:2',3'-c]phenazine)cadmium(II)]-
\m-biphenyl-2,2'-dicarboxylato]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.414(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.4547(10)
_cell_length_b                   12.4137(13)
_cell_length_c                   22.015(2)
_cell_measurement_reflns_used    1258
_cell_measurement_temperature    292(2)
_cell_measurement_theta_max      26.03
_cell_measurement_theta_min      2.3
_cell_volume                     2541.3(4)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2002)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  'SHELXTL (Bruker, 1998)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      292(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0695
_diffrn_reflns_av_sigmaI/netI    0.0893
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            13546
_diffrn_reflns_theta_full        26.05
_diffrn_reflns_theta_max         26.05
_diffrn_reflns_theta_min         1.88
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.908
_exptl_absorpt_correction_T_max  0.915
_exptl_absorpt_correction_T_min  0.881
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.660
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1272
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.727
_refine_diff_density_min         -0.346
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.954
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         5027
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.954
_refine_ls_R_factor_all          0.0984
_refine_ls_R_factor_gt           0.0471
_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^)+(0.0354P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0836
_refine_ls_wR_factor_ref         0.1014
_reflns_number_gt                2971
_reflns_number_total             5027
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2577.cif
_cod_data_source_block           I
_cod_original_cell_volume        2541.3(5)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2216468
_cod_database_fobs_code          2216468