Di-μ-azido-bis{[2-(2-aminoethyl)pyridine-<i>N</i>,<i>N</i>']aquacopper(II)} diperchlorate
Ibrahim Abdul Razak; Hoong-Kun Fun; Kandasamy Chinnakali; S. Shanmuga Sundara Raj; Jia-Cheng Liu; Xiao-Zeng You; Acta Crystallographica Section C 55 (1999) 1764–1766; doi:10.1107/S0108270199008987

data_2009192
_publ_section_title
;
 Di-\m-azido-bis{[2-(2-aminoethyl)pyridine-<i>N</i>,<i>N</i>']aquacopper(II)}
 diperchlorate
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1764
_journal_page_last               1766
_journal_paper_doi               10.1107/S0108270199008987
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          '[Cu2 (N3)2 (C7 H10 N2)2 (H2 O)2 ](Cl O4)2'
_chemical_formula_moiety         '[Cu2 (C7 H10 N2 )2 (H2 O)2 (N3 )2 ](Cl O4)2'
_chemical_formula_sum            'C14 H24 Cl2 Cu2 N10 O10'
_chemical_formula_weight         690.41
_chemical_name_systematic
;
Di-\m-azido-bis[2-(2-aminoethyl)pyridine-aquo]dicopper(II) diperchlorate
;
_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'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.4050(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.7817(3)
_cell_length_b                   7.4435(2)
_cell_length_c                   15.9041(4)
_cell_measurement_reflns_used    6450
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      33.17
_cell_measurement_theta_min      3.02
_cell_volume                     1270.69(6)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material
; SHELXTL
  PLATON (Spek, 1990)
;
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measurement_device
;
Siemens SMART CCD area detector diffractometer
;
_diffrn_measurement_method       '\w 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  0.018
_diffrn_reflns_av_sigmaI/netI    0.023
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7931
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    1.954
_exptl_absorpt_correction_T_max  0.758
_exptl_absorpt_correction_T_min  0.454
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            'dark blue'
_exptl_crystal_density_diffrn    1.804
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       slab
_exptl_crystal_F_000             700
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.75
_refine_diff_density_min         -0.37
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.10
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     180
_refine_ls_number_reflns         2909
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.10
_refine_ls_R_factor_all          0.037
_refine_ls_R_factor_gt           0.030
_refine_ls_shift/su_max          0.00
_refine_ls_shift/su_mean         0.00
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0371P)^2^+0.8385P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.082
_reflns_number_gt                2537
_reflns_number_total             2909
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sk1311.cif
_cod_data_source_block           cu100m
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2009192