<i>catena</i>-Poly[bis(dimethylazanium) [[chloridocopper(II)]-di-μ-chlorido-[chloridocopper(II)]-di-μ-azido-κ^4^<i>N</i>:<i>N</i>]]
Zhang, Wei-Yi; Yang, Li; Liu, Jie; Acta Crystallographica Section E 67 (2011) m1877–m1878; doi:10.1107/S1600536811050537

data_2233036
_publ_section_title
;
 <i>catena</i>-Poly[bis(dimethylazanium)
 [[chloridocopper(II)]-di-\m-chlorido-[chloridocopper(II)]-di-\m-azido-\k^4^<i>N</i>:<i>N</i>]]
;
_journal_coeditor_code           ZB2020
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1877
_journal_page_last               m1878
_journal_paper_doi               10.1107/S1600536811050537
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '(C2 H8 N) [Cu Cl2 (N3)]'
_chemical_formula_moiety         'Cl2 Cu N3, C2 H8 N'
_chemical_formula_sum            'C2 H8 Cl2 Cu N4'
_chemical_formula_weight         222.57
_chemical_name_systematic
;
<i>catena</i>-Poly[bis(dimethylazanium)
[[chloridocopper(II)]-di-\m-chlorido-[chloridocopper(II)]-di-\m-azido-
\k^4^<i>N</i>:<i>N</i>]]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 119.73(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.348(5)
_cell_length_b                   11.089(2)
_cell_length_c                   10.729(2)
_cell_measurement_reflns_used    1037
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      24.63
_cell_measurement_theta_min      2.62
_cell_volume                     1585.7(7)
_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  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0250
_diffrn_reflns_av_sigmaI/netI    0.0419
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            3510
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.67
_exptl_absorpt_coefficient_mu    3.351
_exptl_absorpt_correction_T_max  0.7753
_exptl_absorpt_correction_T_min  0.6512
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.865
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             888
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.410
_refine_diff_density_min         -0.376
_refine_ls_extinction_coef       0.0036(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.937
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     85
_refine_ls_number_reflns         1811
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      0.990
_refine_ls_R_factor_all          0.0517
_refine_ls_R_factor_gt           0.0269
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0361P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0611
_refine_ls_wR_factor_ref         0.0658
_reflns_number_gt                1251
_reflns_number_total             1811
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            zb2020.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2233036
_cod_database_fobs_code          2233036