Di-μ-bromido-bis({bis[2-(2-pyridyl)ethyl]amine}copper(II)) bis(perchlorate)
Butcher, Ray J.; Gultneh, Yilma; Yisgedu, Teshome B.; Tesema, Yohannes T.; Acta Crystallographica Section E 64 (2008) m323–m323; doi:10.1107/S1600536807068663

data_2217673
_publ_section_title
;
 Di-\m-bromido-bis({bis[2-(2-pyridyl)ethyl]amine}copper(II))
 bis(perchlorate)
;
_journal_coeditor_code           TK2238
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m323
_journal_page_last               m323
_journal_paper_doi               10.1107/S1600536807068663
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Cu2 Br2 (C14 H17 N3)2] (Cl O4)2'
_chemical_formula_moiety         'C28 H34 Br2 Cu2 N6 2+, 2(Cl O4 -)'
_chemical_formula_sum            'C28 H34 Br2 Cl2 Cu2 N6 O8'
_chemical_formula_weight         940.41
_chemical_name_systematic
;
Di-\m-bromido-bis({bis[2-(2-pyridyl)ethyl]amine}copper(II)) bis(perchlorate)
;
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                67.212(8)
_cell_angle_beta                 77.019(13)
_cell_angle_gamma                87.033(15)
_cell_formula_units_Z            1
_cell_length_a                   6.8002(13)
_cell_length_b                   11.413(2)
_cell_length_c                   12.668(2)
_cell_measurement_reflns_used    49
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      2.1
_cell_volume                     882.6(3)
_computing_cell_refinement       'XSCANS  (Bruker, 1997)'
_computing_data_collection       'XSCANS (Bruker, 1997)'
_computing_data_reduction        'XSCANS  (Bruker, 1997)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2000)'
_computing_publication_material  'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Bruker P4'
_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    0.051
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            3951
_diffrn_reflns_theta_full        25.0
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         2.1
_diffrn_standards_decay_%        <2%
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.675
_exptl_absorpt_correction_T_max  0.948
_exptl_absorpt_correction_T_min  0.569
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North <i>et al.</i>,  1968)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.769
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'thick needle'
_exptl_crystal_F_000             470
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.50
_refine_diff_density_min         -0.36
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.04
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     255
_refine_ls_number_reflns         3936
_refine_ls_number_restraints     50
_refine_ls_restrained_S_all      1.05
_refine_ls_R_factor_all          0.065
_refine_ls_R_factor_gt           0.042
_refine_ls_shift/su_max_lt       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^)+(0.0336P)^2^+0.6582P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.086
_refine_ls_wR_factor_ref         0.095
_reflns_number_gt                2960
_reflns_number_total             3936
_reflns_threshold_expression     I>2\s\(I)
_cod_data_source_file            tk2238.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     '-P 1 '
_cod_database_code               2217673
_cod_database_fobs_code          2217673