<i>catena</i>-Poly[[[(dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine)zinc(II)]-μ-benzene-1,4-dicarboxylato] dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine 0.67-solvate]
Chuan-Bi Li; Wei Fang; En-Jie Dong; Bo Liu; Yan-Wei Li; Acta Crystallographica Section E 63 (2007) m150–m152; doi:10.1107/S1600536806052536

data_2211825
_publ_section_title
;<i>catena</i>-Poly[[[(dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine)zinc(II)]-\m-benzene-1,4-dicarboxylato]
 dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine 0.67-solvate]
;
_journal_coeditor_code           HB2218
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m150
_journal_page_last               m152
_journal_paper_doi               10.1107/S1600536806052536
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Zn (C8 H4 O4) (C18 H10 N4)]3 , 2C18 H10 N4'
_chemical_formula_moiety         '3C26 H14 N4 O4 Zn , 2C18 H10 N4'
_chemical_formula_sum            'C114 H62 N20 O12 Zn3'
_chemical_formula_weight         2099.95
_chemical_name_systematic
;
catena-Poly[[[(dipyrido[3,2-a:2',3'-c]phenazine)zinc(II)]-\m-benzene-1,4-
dicarboxylato] dipyrido[3,2-a:2',3'-c]phenazine 0.67-solvate]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 116.092(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.474(2)
_cell_length_b                   28.718(4)
_cell_length_c                   19.019(2)
_cell_measurement_reflns_used    560
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.0
_cell_measurement_theta_min      2.2
_cell_volume                     9062.0(19)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'MERCURY (Macrae <i>et al.</i>,  2006)'
_computing_publication_material  SHELXS97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_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  0.0899
_diffrn_reflns_av_sigmaI/netI    0.1668
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            50984
_diffrn_reflns_theta_full        26.05
_diffrn_reflns_theta_max         26.05
_diffrn_reflns_theta_min         1.42
_exptl_absorpt_coefficient_mu    0.870
_exptl_absorpt_correction_T_max  0.910
_exptl_absorpt_correction_T_min  0.861
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.539
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4288
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.558
_refine_diff_density_min         -0.307
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.708
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1342
_refine_ls_number_reflns         17865
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.708
_refine_ls_R_factor_all          0.1654
_refine_ls_R_factor_gt           0.0449
_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^)+(0.0159P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0661
_refine_ls_wR_factor_ref         0.0876
_reflns_number_gt                6083
_reflns_number_total             17865
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2218.cif
_cod_data_source_block           I
_cod_original_cell_volume        9062(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2211825
_cod_database_fobs_code          2211825