Poly[[diaquabis{μ-4-[6-(4-carboxyphenyl)-4,4'-bipyridin-2-yl]benzoato-κ^2^<i>O</i>:<i>N</i>^4'^}zinc] dimethylformamide tetrasolvate]
Ge, Xin; Song, Shuyan; Acta Crystallographica Section E 68 (2012) m1413–; doi:10.1107/S1600536812043838

data_2236359
_publ_section_title
;
 Poly[[diaquabis{\m-4-[6-(4-carboxyphenyl)-4,4'-bipyridin-2-yl]benzoato-\k^2^<i>O</i>:<i>N</i>^4'^}zinc]
 dimethylformamide tetrasolvate]
;
_journal_coeditor_code           HY2597
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1413
_journal_paper_doi               10.1107/S1600536812043838
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Zn (C24 H15 N2 O4)2 (H2 O)2], 4C3 H7 N O'
_chemical_formula_moiety         'C48 H34 N4 O10 Zn, 4(C3 H7 N O)'
_chemical_formula_sum            'C60 H62 N8 O14 Zn'
_chemical_formula_weight         1184.57
_chemical_name_systematic
;
Poly[[diaquabis{\m-4-[6-(4-carboxyphenyl)-4,4'-bipyridin-2-yl]benzoato-
\k^2^<i>O</i>:<i>N</i>^4'^}zinc] dimethylformamide tetrasolvate]
;
_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           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.0750(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.4744(5)
_cell_length_b                   17.7122(13)
_cell_length_c                   21.4993(15)
_cell_measurement_reflns_used    5607
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.05
_cell_measurement_theta_min      1.00
_cell_volume                     2835.1(3)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics
'XP in SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0444
_diffrn_reflns_av_sigmaI/netI    0.0549
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            15534
_diffrn_reflns_theta_full        26.05
_diffrn_reflns_theta_max         26.05
_diffrn_reflns_theta_min         1.90
_exptl_absorpt_coefficient_mu    0.508
_exptl_absorpt_correction_T_max  0.9147
_exptl_absorpt_correction_T_min  0.8393
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.388
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1240
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.400
_refine_diff_density_min         -0.351
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     385
_refine_ls_number_reflns         5606
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0825
_refine_ls_R_factor_gt           0.0525
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0780P)^2^+1.0747P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1372
_refine_ls_wR_factor_ref         0.1575
_reflns_number_gt                3804
_reflns_number_total             5606
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2597.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2236359
_cod_database_fobs_code          2236359