Bis[μ~2~-2,2'-dimethyl-<i>N</i>,<i>N</i>'-bis(2-oxidobenzyl)propane-1,3-diamine]-1κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':2κ^2^<i>O</i>,<i>O</i>';2κ^2^<i>O</i>,<i>O</i>':3κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'-bis(<i>N</i>,<i>N</i>'-dimethylformamide)-1κ<i>O</i>,3κ<i>O</i>-di-μ~2~-formato-1:2κ^2^<i>O</i>:<i>O</i>';2:3κ^2^<i>O</i>:<i>O</i>'-trinickel(II)
Tatar Yıldırım, Leyla; Atakol, Orhan; Kavak, Gülten; Acta Crystallographica Section E 63 (2007) m2403–m2404; doi:10.1107/S1600536807040184

data_2215203
_publ_section_title
Bis[\m~2~-2,2'-dimethyl-<i>N</i>,<i>N</i>'-bis(2-oxidobenzyl)propane-1,3-diamine]-1\k^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':2\k^2^<i>O</i>,<i>O</i>';2\k^2^<i>O</i>,<i>O</i>':3\k^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'-bis(<i>N</i>,<i>N</i>'-dimethylformamide)-1\k<i>O</i>,3\k<i>O</i>-di-\m~2~-formato-1:2\k^2^<i>O</i>:<i>O</i>';2:3\k^2^<i>O</i>:<i>O</i>'-trinickel(II)
_journal_coeditor_code           LH2472
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2403
_journal_page_last               m2404
_journal_paper_doi               10.1107/S1600536807040184
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ni3 (C19 H24 N2 O2)2 (C H O2)2 (C3 H7 N O)2]'
_chemical_formula_moiety         'C46 H64 N6 Ni3 O10'
_chemical_formula_sum            'C46 H64 N6 Ni3 O10'
_chemical_formula_weight         1037.10
_chemical_name_systematic
;
Bis[\m~2~-2,2'-dimethyl-N,N'-bis(2-oxidobenzyl)propane-1,3-diamine]-
1\k^4^O,N,N',O':2\k^2^O,O';2\k^2^O,O':3\k^4^O,N,N',O'-bis(N,N'-
dimethylformamide)-1\kO,3\kO-di-\m~2~-formato-1:2\k^2^O:O';2:3\k^2^O:O'-
trinickel(II)
;
_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           SHELXL97
_cell_angle_alpha                90
_cell_angle_beta                 103.433(19)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.289(2)
_cell_length_b                   14.054(5)
_cell_length_c                   17.005(4)
_cell_measurement_reflns_used    15
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.91
_cell_measurement_theta_min      19.00
_cell_volume                     2391.7(11)
_computing_cell_refinement       'CAD-4 EXPRESS'
_computing_data_collection       'CAD-4 EXPRESS (Enraf--Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Enraf--Nonius TurboCAD-4'
_diffrn_measurement_method       'non-profiled \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0476
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            5007
_diffrn_reflns_theta_full        73.92
_diffrn_reflns_theta_max         73.92
_diffrn_reflns_theta_min         4.13
_diffrn_standards_decay_%        2
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.884
_exptl_absorpt_correction_T_max  0.828
_exptl_absorpt_correction_T_min  0.720
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North <i>et al.</i>,  1968)'
_exptl_crystal_colour            'light green'
_exptl_crystal_density_diffrn    1.440
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1092
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.428
_refine_diff_density_min         -0.492
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         4740
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.1863
_refine_ls_R_factor_gt           0.0564
_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^)+(0.0515P)^2^+0.3344P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1182
_refine_ls_wR_factor_ref         0.1503
_reflns_number_gt                2200
_reflns_number_total             4740
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh2472.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2215203
_cod_database_fobs_code          2215203