(Dimethylglyoxime-κ^2^<i>N</i>,<i>N</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) dinitrate dihydrate
Zhong, H.; Zeng, X.-R.; Yang, X.-M.; Luo, Q.-Y.; Li, M.-L.; Acta Crystallographica Section E 63 (2007) m642–m644; doi:10.1107/S1600536807004096

data_2212237
_publ_section_title
;(Dimethylglyoxime-\k^2^<i>N</i>,<i>N</i>')bis(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')zinc(II)
 dinitrate dihydrate
;
_journal_coeditor_code           HK2196
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m642
_journal_page_last               m644
_journal_paper_doi               10.1107/S1600536807004096
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Zn (C12 H8 N2)2 (C4 H8 N2 O2)] (N O3)2, 2H2 O'
_chemical_formula_moiety         'C28 H24 N6 O2 Zn 2+, 2(N O3 -), 2(H2 O)'
_chemical_formula_sum            'C28 H28 N8 O10 Zn'
_chemical_formula_weight         701.97
_chemical_name_systematic
;
(Dimethylglyoxime-\k^2^N,N')bis(1,10-phenanthroline-\k^2^N,N')zinc(II)
dinitrate dihydrate
;
_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           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.131(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.875(3)
_cell_length_b                   12.0502(12)
_cell_length_c                   18.369(9)
_cell_measurement_reflns_used    5768
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      24.984
_cell_measurement_theta_min      2.246
_cell_volume                     3053.7(17)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Siemens, 1996)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Bruker APEX-II area-detector'
_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  0.0426
_diffrn_reflns_av_sigmaI/netI    0.1046
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            22068
_diffrn_reflns_theta_full        27.85
_diffrn_reflns_theta_max         27.85
_diffrn_reflns_theta_min         2.02
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.875
_exptl_absorpt_correction_T_max  0.8584
_exptl_absorpt_correction_T_min  0.7792
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.527
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1448
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.791
_refine_diff_density_min         -0.718
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.971
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     444
_refine_ls_number_reflns         7018
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      0.977
_refine_ls_R_factor_all          0.1102
_refine_ls_R_factor_gt           0.0494
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1P)^2^+0.002P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1469
_refine_ls_wR_factor_ref         0.1570
_reflns_number_gt                3780
_reflns_number_total             7018
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hk2196.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2212237
_cod_database_fobs_code          2212237