Bis(μ-azido-κ^2^<i>N</i>:<i>N</i>)bis[azido(<i>N</i>,<i>N</i>-dimethyl-1,3-propylenediamine-κ^2^<i>N</i>,<i>N</i>)copper(II)]
Wen-Xuan Cai; Hong Su; Yun-Long Feng; Acta Crystallographica Section E 63 (2007) m501–m503; doi:10.1107/S1600536807000980

data_2211994
_publ_section_title
Bis(\m-azido-\k^2^<i>N</i>:<i>N</i>)bis[azido(<i>N</i>,<i>N</i>-dimethyl-1,3-propylenediamine-\k^2^<i>N</i>,<i>N</i>)copper(II)]
_journal_coeditor_code           AT2195
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m501
_journal_page_last               m503
_journal_paper_doi               10.1107/S1600536807000980
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cu2 (N3)4 (C5 H14 N2)2]'
_chemical_formula_moiety         'C10 H28 Cu2 N16'
_chemical_formula_sum            'C10 H28 Cu2 N16'
_chemical_formula_weight         499.56
_chemical_name_systematic
;
Bis(\m-azido-\k^2^N:N)bis[azido(N,N-dimethyl-1,3-propylenediamine-
\k^2^N,N)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           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 124.877(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.445(2)
_cell_length_b                   11.164(2)
_cell_length_c                   12.0678(18)
_cell_measurement_reflns_used    2460
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      27.96
_cell_measurement_theta_min      2.63
_cell_volume                     1043.9(4)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'SMART (Bruker, 2004)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEXII area-detector'
_diffrn_measurement_method       \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  0.0206
_diffrn_reflns_av_sigmaI/netI    0.0254
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6943
_diffrn_reflns_theta_full        27.96
_diffrn_reflns_theta_max         27.96
_diffrn_reflns_theta_min         2.63
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.070
_exptl_absorpt_correction_T_max  0.798
_exptl_absorpt_correction_T_min  0.682
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.589
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             516
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.158
_exptl_crystal_size_min          0.109
_refine_diff_density_max         0.293
_refine_diff_density_min         -0.245
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     129
_refine_ls_number_reflns         2489
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0366
_refine_ls_R_factor_gt           0.0250
_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^)+(0.0381P)^2^+0.0173P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0622
_refine_ls_wR_factor_ref         0.0659
_reflns_number_gt                2002
_reflns_number_total             2489
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            at2195.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2211994
_cod_database_fobs_code          2211994