Crystal structure and thermochemical reactivity of an unusual copper complex that contains copper in four different coordination geometries.
Weiss, Rainer; Jansen, Georg; Boese, Roland; Epple, Matthias; Dalton transactions (Cambridge, England : 2003)  (2006) 1831–1835; doi:10.1039/b514540f

data_7006833
_publ_section_title
;
 Crystal structure and thermochemical reactivity of an unusual copper
 complex that contains copper in four different coordination
 geometries.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1831
_journal_page_last               1835
_journal_paper_doi               10.1039/b514540f
_journal_year                    2006
_chemical_formula_sum            'C14 H34 Cu4 N14 O'
_chemical_formula_weight         668.71
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_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                88.035(2)
_cell_angle_beta                 86.732(2)
_cell_angle_gamma                65.656(2)
_cell_formula_units_Z            2
_cell_length_a                   7.7059(7)
_cell_length_b                   8.6082(8)
_cell_length_c                   20.7908(19)
_cell_measurement_temperature    203(2)
_cell_volume                     1254.4(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      203(2)
_diffrn_measured_fraction_theta_full 0.952
_diffrn_measured_fraction_theta_max 0.952
_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  0.0229
_diffrn_reflns_av_sigmaI/netI    0.0459
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            9250
_diffrn_reflns_theta_full        28.51
_diffrn_reflns_theta_max         28.51
_diffrn_reflns_theta_min         1.96
_exptl_absorpt_coefficient_mu    3.382
_exptl_crystal_density_diffrn    1.770
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             680
_refine_diff_density_max         0.501
_refine_diff_density_min         -0.426
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.997
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     301
_refine_ls_number_reflns         6066
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.997
_refine_ls_R_factor_all          0.0500
_refine_ls_R_factor_gt           0.0321
_refine_ls_shift/su_max          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^)+(0.0402P)^2^+0.3158P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0736
_refine_ls_wR_factor_ref         0.0808
_reflns_number_gt                4699
_reflns_number_total             6066
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b514540f.txt
_cod_data_source_block           cudiethm
_cod_database_code               7006833