Di-μ-azido-bis({<i>N</i>'-[1-(2-pyridyl-κ<i>N</i>)ethylidene]acetohydrazidato-κ^2^<i>N</i>',<i>O</i>}dicopper(II))
Datta, Amitabha; Das, Kuheli; Jhou, Yan-Ming; Huang, Jui-Hsien; Lee, Hon Man; Acta Crystallographica Section E 66 (2010) m1271–; doi:10.1107/S1600536810034860

data_2227918
_publ_section_title
;
 Di-\m-azido-bis({<i>N</i>'-[1-(2-pyridyl-\k<i>N</i>)ethylidene]acetohydrazidato-\k^2^<i>N</i>',<i>O</i>}dicopper(II))
;
_journal_coeditor_code           PV2324
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1271
_journal_paper_doi               10.1107/S1600536810034860
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Cu2 (C9 H10 N3 O)2 (N3)2]'
_chemical_formula_moiety         'C18 H20 Cu2 N12 O2'
_chemical_formula_sum            'C18 H20 Cu2 N12 O2'
_chemical_formula_weight         563.54
_chemical_name_systematic
;
Di-\m-azido-bis({<i>N</i>'-[1-(2-pyridyl-
\k<i>N</i>)ethylidene]acetohydrazidato-\k^2^<i>N</i>',<i>O</i>}dicopper(II))
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                66.534(15)
_cell_angle_beta                 69.461(13)
_cell_angle_gamma                81.468(16)
_cell_formula_units_Z            1
_cell_length_a                   7.589(3)
_cell_length_b                   8.955(3)
_cell_length_c                   9.693(4)
_cell_measurement_reflns_used    3185
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.5
_cell_measurement_theta_min      2.9
_cell_volume                     565.8(4)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'DIAMOND (Brandenburg, 2006)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.956
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  'Bruker SMART APEXII'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0397
_diffrn_reflns_av_sigmaI/netI    0.2939
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            3858
_diffrn_reflns_theta_full        26.99
_diffrn_reflns_theta_max         26.99
_diffrn_reflns_theta_min         3.10
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.923
_exptl_absorpt_correction_T_max  0.6997
_exptl_absorpt_correction_T_min  0.6450
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.654
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             286
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.082
_refine_diff_density_min         -2.810
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     156
_refine_ls_number_reflns         2358
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.2586
_refine_ls_R_factor_gt           0.0265
_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^)+(0.0597P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0728
_refine_ls_wR_factor_ref         0.0934
_reflns_number_gt                1591
_reflns_number_total             2358
_reflns_threshold_expression     I>2\s
_cod_data_source_file            pv2324.cif
_cod_data_source_block           I
_cod_database_code               2227918
_cod_database_fobs_code          2227918