Poly[bis(μ~2~-<i>trans</i>-di-4-pyridylethylene-κ^2^<i>N</i>:<i>N</i>')bis(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(μ~4~-succinato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')(μ~4~-succinato-κ^4^<i>O</i>:<i>O</i>:<i>O</i>':<i>O</i>')tetrazinc(II)]
Xu, Ji-Yang; Zapata, Fatima; Courtney, Brandy H.; Fronczek, Frank R.; Chen, Banglin; Acta Crystallographica Section E 62 (2006) m382–m384; doi:10.1107/S1600536806002935

data_2208134
_publ_section_title
Poly[bis(\m~2~-<i>trans</i>-di-4-pyridylethylene-\k^2^<i>N</i>:<i>N</i>')bis(nitrato-\k^2^<i>O</i>,<i>O</i>')bis(\m~4~-succinato-\k^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')(\m~4~-succinato-\k^4^<i>O</i>:<i>O</i>:<i>O</i>':<i>O</i>')tetrazinc(II)]
_journal_coeditor_code           NG6284
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m382
_journal_page_last               m384
_journal_paper_doi               10.1107/S1600536806002935
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Zn4 (C4 H4 O4)3 (N O3)2 (C12 H10 N2)2]'
_chemical_formula_moiety         'C36 H32 N6 O18 Zn4'
_chemical_formula_sum            'C36 H32 N6 O18 Zn4'
_chemical_formula_weight         1098.16
_chemical_name_systematic
;
Poly[bis(\m~2~-trans-di-4-pyridylethylene-\k^2^N:N')bis(nitrato-\k^2^O,O')
bis(\m~4~-succinato-\k^4^O:O':O'':O''')(\m~4~-succinato-
\k^4^O:O:O':O')tetrazinc(II)
;
_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                82.58(2)
_cell_angle_beta                 80.87(2)
_cell_angle_gamma                69.097(14)
_cell_formula_units_Z            1
_cell_length_a                   9.615(4)
_cell_length_b                   9.804(4)
_cell_length_c                   11.729(4)
_cell_measurement_reflns_used    4442
_cell_measurement_temperature    110
_cell_measurement_theta_max      28.283
_cell_measurement_theta_min      2.546
_cell_volume                     1016.6(7)
_computing_cell_refinement
'DENZO and SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 2000)'
_computing_data_reduction        'DENZO and SCALEPACK'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      110
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type
'Nonius KappaCCD (with an Oxford Cryosystems Cryostream cooler)'
_diffrn_measurement_method       '\w scans with \k offsets'
_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  0.0587
_diffrn_reflns_av_sigmaI/netI    0.0957
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            16627
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         2.59
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.417
_exptl_absorpt_correction_T_max  0.930
_exptl_absorpt_correction_T_min  0.861
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'(DENZO and SCALEPACK; Otwinowski & Minor, 1997)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.794
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             554
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.586
_refine_diff_density_min         -0.522
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         4947
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.0950
_refine_ls_R_factor_gt           0.0497
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0226P)^2^+1.0067P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0752
_refine_ls_wR_factor_ref         0.0857
_reflns_number_gt                3320
_reflns_number_total             4947
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng6284.cif
_cod_data_source_block           I
_cod_database_code               2208134
_cod_database_fobs_code          2208134