Di-μ-azido-κ^4^<i>N</i>:<i>N</i>-bis({2-[(3-amino-2,2-dimethylpropyl)iminomethyl]-6-methoxyphenolato-1κ^3^<i>N</i>,<i>N</i>',<i>O</i>^1^}copper(II))
Ghaemi, Akbar; Rayati, Saeed; Fayyazi, Kazem; Ng, Seik Weng; Tiekink, Edward R. T.; Acta Crystallographica Section E 68 (2012) m993–m994; doi:10.1107/S1600536812028954

data_2235617
_publ_section_title
;
 Di-\m-azido-\k^4^<i>N</i>:<i>N</i>-bis({2-[(3-amino-2,2-dimethylpropyl)iminomethyl]-6-methoxyphenolato-1\k^3^<i>N</i>,<i>N</i>',<i>O</i>^1^}copper(II))
;
_journal_coeditor_code           SJ5249
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m993
_journal_page_last               m994
_journal_paper_doi               10.1107/S1600536812028954
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Cu2 (C13 H19 N2 O2)2 (N3)2]'
_chemical_formula_moiety         'C26 H38 Cu2 N10 O4'
_chemical_formula_sum            'C26 H38 Cu2 N10 O4'
_chemical_formula_weight         681.76
_chemical_name_systematic
;
Di-\m-azido-\k^4^<i>N</i>:<i>N</i>-bis({2-[(3-amino-2,2-
dimethylpropyl)iminomethyl]-6-methoxyphenolato-
1\k^3^<i>N</i>,<i>N</i>',<i>O</i>^1^}copper(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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.203(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.1733(5)
_cell_length_b                   12.2369(5)
_cell_length_c                   13.0988(6)
_cell_measurement_reflns_used    2122
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.4919
_cell_measurement_theta_min      2.5433
_cell_volume                     1455.33(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 0.989
_diffrn_measured_fraction_theta_max 0.989
_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  0.0343
_diffrn_reflns_av_sigmaI/netI    0.0572
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5747
_diffrn_reflns_theta_full        27.55
_diffrn_reflns_theta_max         27.55
_diffrn_reflns_theta_min         2.79
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.513
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.67382
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis PRO; Agilent, 2010)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.556
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             708
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.544
_refine_diff_density_min         -0.518
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     198
_refine_ls_number_reflns         3314
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0539
_refine_ls_R_factor_gt           0.0387
_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^)+(0.0429P)^2^+0.1866P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0909
_refine_ls_wR_factor_ref         0.1048
_reflns_number_gt                2628
_reflns_number_total             3314
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sj5249.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2235617
_cod_database_fobs_code          2235617