<i>catena</i>-Poly[[(<i>N</i>,<i>N</i>-dimethylethane-1,2-diamine)copper(II)]-di-μ~1,1~-azido-[(<i>N</i>,<i>N</i>-dimethylethane-1,2-diamine)copper(II)]-di-μ~1,3~-azido]
Yun-Peng Diao; Acta Crystallographica Section E 63 (2007) m1081–m1083; doi:10.1107/S1600536807011816

data_2212754
_publ_section_title
<i>catena</i>-Poly[[(<i>N</i>,<i>N</i>-dimethylethane-1,2-diamine)copper(II)]-di-\m~1,1~-azido-[(<i>N</i>,<i>N</i>-dimethylethane-1,2-diamine)copper(II)]-di-\m~1,3~-azido]
_journal_coeditor_code           AT2235
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1081
_journal_page_last               m1083
_journal_paper_doi               10.1107/S1600536807011816
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cu2 (N3)4 (C4 H12 N2)2]'
_chemical_formula_moiety         'C8 H24 Cu2 N16'
_chemical_formula_sum            'C8 H24 Cu2 N16'
_chemical_formula_weight         471.52
_chemical_name_systematic
;
catena-Poly[[(N,N-dimethylethane-1,2-diamine)copper(II)]-di-\m~1,1~-azido-
[(N,N-dimethylethane-1,2-diamine)copper(II)]-di-\m~1,3~-azido]
;
_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                 111.331(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.5870(10)
_cell_length_b                   7.270(2)
_cell_length_c                   12.923(2)
_cell_measurement_reflns_used    581
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      24.8
_cell_measurement_theta_min      2.5
_cell_volume                     926.5(3)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker SMART CCD 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  0.1052
_diffrn_reflns_av_sigmaI/netI    0.1328
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7438
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.14
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.327
_exptl_absorpt_correction_T_max  0.8541
_exptl_absorpt_correction_T_min  0.8179
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.690
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             484
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.509
_refine_diff_density_min         -0.565
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     120
_refine_ls_number_reflns         2105
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.1363
_refine_ls_R_factor_gt           0.0753
_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^)+(0.0528P)^2^+0.2273P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1394
_refine_ls_wR_factor_ref         0.1626
_reflns_number_gt                1205
_reflns_number_total             2105
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            at2235.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2212754
_cod_database_fobs_code          2212754