<i>catena</i>-Poly[[diaquabis(diphenylacetato)zinc(II)]-μ-4,4'-bipyridine]
Yu, Shan-Shan; Zhou, Hong; Xian, Hua; Tian, Zheng-Fang; Acta Crystallographica Section E 65 (2009) m285–; doi:10.1107/S1600536809004450

data_2221127
_publ_section_title
;
 <i>catena</i>-Poly[[diaquabis(diphenylacetato)zinc(II)]-\m-4,4'-bipyridine]
;
_journal_coeditor_code           LH2759
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m285
_journal_paper_doi               10.1107/S1600536809004450
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Zn (C14 H11 O2)2 (C10 H8 N2) (H2 O)2]'
_chemical_formula_moiety         'C38 H34 N2 O6 Zn'
_chemical_formula_sum            'C38 H34 N2 O6 Zn'
_chemical_formula_weight         680.04
_chemical_name_systematic
;
<i>catena</i>-Poly[[diaquabis(diphenylacetato)zinc(II)]-\m-4,4'-bipyridine]
;
_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                98.522(4)
_cell_angle_beta                 103.273(5)
_cell_angle_gamma                103.450(4)
_cell_formula_units_Z            1
_cell_length_a                   5.7536(13)
_cell_length_b                   11.882(3)
_cell_length_c                   12.229(3)
_cell_measurement_reflns_used    924
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      20.17
_cell_measurement_theta_min      2.23
_cell_volume                     773.2(3)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       '\f and \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  0.0219
_diffrn_reflns_av_sigmaI/netI    0.0495
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            3891
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.80
_exptl_absorpt_coefficient_mu    0.847
_exptl_absorpt_correction_T_max  0.8225
_exptl_absorpt_correction_T_min  0.7851
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.460
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             354
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.231
_refine_diff_density_min         -0.220
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     214
_refine_ls_number_reflns         2679
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0834
_refine_ls_R_factor_gt           0.0614
_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^)+(0.05P)^2^+1.22P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1267
_refine_ls_wR_factor_ref         0.1348
_reflns_number_gt                2234
_reflns_number_total             2679
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh2759.cif
_cod_data_source_block           I
_cod_database_code               2221127
_cod_database_fobs_code          2221127