{μ-2-[(3-Amino-2,2-dimethylpropyl)iminomethyl]-6-methoxyphenolato-1:2κ^5^<i>O</i>^1^,<i>O</i>^6^:<i>N</i>,<i>N</i>',<i>O</i>^1^}{2-[(3-amino-2,2-dimethylpropyl)iminomethyl]-6-methoxyphenolato-1κ^3^<i>N</i>,<i>N</i>',<i>O</i>^1^}-μ-azido-1:2κ^2^<i>N</i>:<i>N</i>-azido-2κ<i>N</i>-methanol-2κ<i>O</i>-dinickel(II)
Ghaemi, Akbar; Rayati, Saeed; Fayyazi, Kazem; Ng, Seik Weng; Tiekink, Edward R. T.; Acta Crystallographica Section E 68 (2012) m1027–m1028; doi:10.1107/S1600536812029662

data_2235906
_publ_section_title
;
 {\m-2-[(3-Amino-2,2-dimethylpropyl)iminomethyl]-6-methoxyphenolato-1:2\k^5^<i>O</i>^1^,<i>O</i>^6^:<i>N</i>,<i>N</i>',<i>O</i>^1^}{2-[(3-amino-2,2-dimethylpropyl)iminomethyl]-6-methoxyphenolato-1\k^3^<i>N</i>,<i>N</i>',<i>O</i>^1^}-\m-azido-1:2\k^2^<i>N</i>:<i>N</i>-azido-2\k<i>N</i>-methanol-2\k<i>O</i>-dinickel(II)
;
_journal_coeditor_code           LH5496
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1027
_journal_page_last               m1028
_journal_paper_doi               10.1107/S1600536812029662
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Ni2 (C13 H19 N2 O2)2 (N3)2 (C H4 O)]'
_chemical_formula_moiety         'C27 H42 N10 Ni2 O5'
_chemical_formula_sum            'C27 H42 N10 Ni2 O5'
_chemical_formula_weight         704.13
_chemical_name_systematic
;
{\m-2-[(3-Amino-2,2-dimethylpropyl)iminomethyl]-6-methoxyphenolato-
1:2\k^5^<i>O</i>^1^,<i>O</i>^6^:<i>N</i>,<i>N</i>',<i>O</i>^1^}{2-[(3-amino-
2,2-dimethylpropyl)iminomethyl]-6-methoxyphenolato-1\k^3^<i>N</i>,<i>N</i>',
<i>O</i>^1^}-\m-azido-1:2\k^2^<i>N</i>:<i>N</i>-azido-2\k<i>N</i>-
methanol-2\k<i>O</i>-dinickel(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           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.674(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.0907(2)
_cell_length_b                   18.5230(4)
_cell_length_c                   21.1162(4)
_cell_measurement_reflns_used    9647
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.4989
_cell_measurement_theta_min      2.3991
_cell_volume                     3143.11(12)
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2010)'
_computing_data_collection       'CrysAlis PRO (Agilent, 2010)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2010)'
_computing_molecular_graphics
'ORTEP-3 for Windows (Farrugia, 1997) and DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.4041
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type
'Agilent SuperNova Dual diffractometer with an Atlas detector'
_diffrn_measurement_method       '\w scan'
_diffrn_radiation_monochromator  Mirror
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0310
_diffrn_reflns_av_sigmaI/netI    0.0377
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            21789
_diffrn_reflns_theta_full        27.56
_diffrn_reflns_theta_max         27.56
_diffrn_reflns_theta_min         2.40
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.252
_exptl_absorpt_correction_T_max  0.8061
_exptl_absorpt_correction_T_min  0.7532
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis PRO; Agilent, 2010)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.488
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1480
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.489
_refine_diff_density_min         -0.439
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     417
_refine_ls_number_reflns         7266
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0414
_refine_ls_R_factor_gt           0.0314
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0296P)^2^+2.1117P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0704
_refine_ls_wR_factor_ref         0.0755
_reflns_number_gt                6115
_reflns_number_total             7266
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh5496.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2235906
_cod_database_fobs_code          2235906