Crystal structure of bis(μ-bromo)-tetrakis(tert-butyl-(4-methyl- pyridin-2-yl)-amine)-dicopper(I), Cu~2~Br~2~(C~10~H~16~N~2~)~4~
Glatz, Germund; Irrgang, Torsten; Kempe, Rhett; Zeitschrift für Kristallographie - New Crystal Structures 222 (2007) 287–288; doi:

data_8102153
_publ_section_title
;
Crystal structure of bis(\m-bromo)-tetrakis(tert-butyl-(4-methyl-
pyridin-2-yl)-amine)-dicopper(I), Cu~2~Br~2~(C~10~H~16~N~2~)~4~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              287
_journal_page_last               288
_journal_volume                  222
_journal_year                    2007
_chemical_formula_structural     Cu2Br2(C10H16N2)4
_chemical_formula_sum            'C40 H64 Br2 Cu2 N8'
_chemical_formula_weight         943.89
_chemical_name_systematic
;
bis(\m-bromo)-tetrakis(tert-butyl-(4-methyl-pyridin-2-yl)-amine)-dicopper(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                 96.604(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.3890(7)
_cell_length_b                   16.5070(8)
_cell_length_c                   23.7280(19)
_cell_measurement_reflns_used    all
_cell_measurement_temperature    191(2)
_cell_volume                     4431.2(5)
_computing_data_collection       X-AREA-STOE
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-97
_diffrn_ambient_temperature      191(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Stoe IPDS II'
_diffrn_measurement_method       omega
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0389
_diffrn_reflns_av_sigmaI/netI    0.0752
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7862
_diffrn_reflns_theta_full        25.72
_diffrn_reflns_theta_max         25.72
_diffrn_reflns_theta_min         1.73
_exptl_absorpt_coefficient_mu    2.800
_exptl_absorpt_correction_T_max  0.6869
_exptl_absorpt_correction_T_min  0.4433
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.415
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1952
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.830
_refine_diff_density_min         -0.248
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.854
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     251
_refine_ls_number_reflns         4150
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.854
_refine_ls_R_factor_all          0.0776
_refine_ls_R_factor_gt           0.0393
_refine_ls_shift/su_max          1.077
_refine_ls_shift/su_mean         0.016
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0379P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0728
_refine_ls_wR_factor_ref         0.0806
_reflns_number_gt                2654
_reflns_number_total             4150
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-2048.cff
_cod_data_source_block           k384m
_cod_original_sg_symbol_H-M      C12/c1
_cod_database_code               8102153
_cell_measurement_2theta_min     3.45
_cell_measurement_2theta_max     51.96