<i>trans</i>-Bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis(nitrato-κ<i>O</i>)zinc(II)
Liu, Yin-Qiu; Zeng, Xi-Rui; Chen, Wen-Tong; Acta Crystallographica Section E 63 (2007) m2462–; doi:10.1107/S1600536807042390

data_2215363
_publ_section_title
<i>trans</i>-Bis(ethylenediamine-\k^2^<i>N</i>,<i>N</i>')bis(nitrato-\k<i>O</i>)zinc(II)
_journal_coeditor_code           BI2235
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2462
_journal_paper_doi               10.1107/S1600536807042390
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Zn (N O3)2 (C2 H8 N2)2]'
_chemical_formula_moiety         'C4 H16 N6 O6 Zn'
_chemical_formula_sum            'C4 H16 N6 O6 Zn'
_chemical_formula_weight         309.62
_chemical_name_systematic
;
<i>trans</i>-Bis(ethylenediamine-\k^2^<i>N</i>,<i>N</i>')bis(nitrato-\kO)
zinc(II)
;
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 111.1710(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.2127(7)
_cell_length_b                   9.9673(8)
_cell_length_c                   7.9733(7)
_cell_measurement_reflns_used    2202
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.842
_cell_measurement_theta_min      2.665
_cell_volume                     608.63(9)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT (Bruker, 1997)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  'SHELXTL (Bruker, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEXII 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  0.0261
_diffrn_reflns_av_sigmaI/netI    0.0306
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            3715
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.66
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.047
_exptl_absorpt_correction_T_max  0.823
_exptl_absorpt_correction_T_min  0.668
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.689
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             320
_exptl_crystal_size_max          0.242
_exptl_crystal_size_mid          0.171
_exptl_crystal_size_min          0.093
_refine_diff_density_max         0.712
_refine_diff_density_min         -0.841
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     79
_refine_ls_number_reflns         1116
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0599
_refine_ls_R_factor_gt           0.0482
_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^)+(0.0901P)^2^+0.4042P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1421
_refine_ls_wR_factor_ref         0.1481
_reflns_number_gt                811
_reflns_number_total             1116
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bi2235.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2215363
_cod_database_fobs_code          2215363