Crystal structure of tetra-μ~3~-bromo-tetrakis(tert-butyl- (4-methyl-pyridin-2-yl)-amine)-tetracopper(I), Cu~4~Br~4~(C~10~H~16~N~2~) ~4~
Glatz, Germund; Irrgang, Torsten; Kempe, Rhett; Zeitschrift für Kristallographie - New Crystal Structures 222 (2007) 261–262; doi:

data_8102144
_publ_section_title
;
Crystal structure of tetra-\m~3~-bromo-tetrakis(tert-butyl-
(4-methyl-pyridin-2-yl)-amine)-tetracopper(I), Cu~4~Br~4~(C~10~H~16~N~2~)
~4~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              261
_journal_page_last               262
_journal_volume                  222
_journal_year                    2007
_chemical_formula_structural     Cu4Br4(C10H16N2)4
_chemical_formula_sum            'C40 H64 Br4 Cu4 N8'
_chemical_formula_weight         1230.80
_chemical_name_systematic
;
tetra-\m~3~-bromo-tetrakis(tert-butyl-(4-methyl-pyridin-2-yl)-amine)-
tetracopper(I)
;
_space_group_IT_number           86
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4bc'
_symmetry_space_group_name_H-M   'P 42/n :2'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.3250(10)
_cell_length_b                   15.3250(10)
_cell_length_c                   10.5050(6)
_cell_measurement_reflns_used    all
_cell_measurement_temperature    191(2)
_cell_volume                     2467.2(3)
_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 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.1604
_diffrn_reflns_av_sigmaI/netI    0.1097
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            9086
_diffrn_reflns_theta_full        25.79
_diffrn_reflns_theta_max         25.79
_diffrn_reflns_theta_min         1.88
_exptl_absorpt_coefficient_mu    4.975
_exptl_absorpt_correction_T_max  0.3108
_exptl_absorpt_correction_T_min  0.1360
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.657
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1232
_exptl_crystal_size_max          0.61
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.34
_refine_diff_density_max         1.248
_refine_diff_density_min         -1.364
_refine_diff_density_rms         0.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     131
_refine_ls_number_reflns         2362
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0762
_refine_ls_R_factor_gt           0.0556
_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^)+(0.0626P)^2^+4.4370P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1492
_refine_ls_wR_factor_ref         0.1615
_reflns_number_gt                1808
_reflns_number_total             2362
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-2034.cff
_cod_data_source_block           k362t
_cod_original_sg_symbol_H-M      P4(2)/n
_cod_database_code               8102144
_cell_measurement_2theta_min     2.65
_cell_measurement_2theta_max     52.16