Poly[(μ~2~-<i>trans</i>-di-4-pyridylethylene-κ^2^<i>N</i>:<i>N</i>')(μ~2~-fumarato-κ^2^<i>O</i>:<i>O</i>')zinc(II)]
Xu, Ji-Yang; Hurtado, Eric J.; Lobkovsky, Emil B.; Chen, Banglin; Acta Crystallographica Section E 63 (2007) m2205–m2205; doi:10.1107/S1600536807035209

data_2214823
_publ_section_title
Poly[(\m~2~-<i>trans</i>-di-4-pyridylethylene-\k^2^<i>N</i>:<i>N</i>')(\m~2~-fumarato-\k^2^<i>O</i>:<i>O</i>')zinc(II)]
_journal_coeditor_code           PK2035
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2205
_journal_page_last               m2205
_journal_paper_doi               10.1107/S1600536807035209
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Zn (C4 H2 O4) (C12 H10 N2)]'
_chemical_formula_moiety         'C16 H12 N2 O4 Zn'
_chemical_formula_sum            'C16 H12 N2 O4 Zn'
_chemical_formula_weight         361.67
_chemical_name_systematic
;
Poly[(\m~2~-trans-di-4-pyridylethylene-\k^2^N:N')(\m~2~-fumarato-\
\k^2^O:O')zinc(II)]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 97.144(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.8488(8)
_cell_length_b                   21.5285(19)
_cell_length_c                   13.5042(11)
_cell_measurement_reflns_used    8809
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      32.0
_cell_measurement_theta_min      2.4
_cell_volume                     2552.6(4)
_computing_cell_refinement       'SAINT-Plus (Bruker 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        SAINT-Plus
_computing_molecular_graphics    'SHELXTL (Bruker, 2000)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 18
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker X8 APEX II'
_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  0.0305
_diffrn_reflns_av_sigmaI/netI    0.0270
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            25652
_diffrn_reflns_theta_full        34.21
_diffrn_reflns_theta_max         34.2
_diffrn_reflns_theta_min         1.9
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.98
_exptl_absorpt_correction_T_max  0.909
_exptl_absorpt_correction_T_min  0.759
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    0.941
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             736
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.311
_refine_diff_density_min         -0.530
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.09
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     106
_refine_ls_number_reflns         5175
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.09
_refine_ls_R_factor_all          0.0279
_refine_ls_R_factor_gt           0.0241
_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^)+(0.0404P)^2^+0.1113P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0729
_refine_ls_wR_factor_ref         0.0733
_reflns_number_gt                4435
_reflns_number_total             5175
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            pk2035.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2214823
_cod_database_fobs_code          2214823