{μ-6,6'-Dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-1κ^4^<i>O</i>^6^,<i>O</i>^1^,<i>O</i>^1'^,<i>O</i>^6'^:2κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^}(methanol-1κ<i>O</i>)(perchlorato-1κ<i>O</i>)nickel(II)sodium
Xiao, Hui-Quan; Acta Crystallographica Section E 65 (2009) m400–; doi:10.1107/S1600536809007776

data_2221371
_publ_section_title
{\m-6,6'-Dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-1\k^4^<i>O</i>^6^,<i>O</i>^1^,<i>O</i>^1'^,<i>O</i>^6'^:2\k^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^}(methanol-1\k<i>O</i>)(perchlorato-1\k<i>O</i>)nickel(II)sodium
_journal_coeditor_code           HG2479
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m400
_journal_paper_doi               10.1107/S1600536809007776
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Na Ni (C18 H18 N2 O4) (Cl O4) (C H4 O)]'
_chemical_formula_moiety         'C19 H22 Cl N2 Na Ni O9'
_chemical_formula_sum            'C19 H22 Cl N2 Na Ni O9'
_chemical_formula_weight         539.54
_chemical_name_systematic
;
{\m-6,6'-Dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-
1\k^4^<i>O</i>^6^,<i>O</i>^1^,<i>O</i>^1'^,<i>O</i>^6'^:
2\k^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^}(methanol-
1\k<i>O</i>)(perchlorato-1\k<i>O</i>)nickel(II)sodium
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 104.302(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.026(2)
_cell_length_b                   8.1360(16)
_cell_length_c                   23.394(5)
_cell_measurement_reflns_used    3601
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      26.561
_cell_measurement_theta_min      2.66
_cell_volume                     2218.0(7)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART CCD 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  0.0233
_diffrn_reflns_av_sigmaI/netI    0.0283
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            10559
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.76
_exptl_absorpt_coefficient_mu    1.069
_exptl_absorpt_correction_T_max  0.8915
_exptl_absorpt_correction_T_min  0.8647
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.616
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1111.9
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.034
_refine_diff_density_min         -1.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     339
_refine_ls_number_reflns         3906
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0657
_refine_ls_R_factor_gt           0.0527
_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^)+(0.0852P)^2^+3.4175P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1470
_refine_ls_wR_factor_ref         0.1591
_reflns_number_gt                3120
_reflns_number_total             3906
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hg2479.cif
_cod_data_source_block           I
_cod_original_cell_volume        2218.0(8)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2221371
_cod_database_fobs_code          2221371