Trialkylphosphine-Stabilized Copper-Phenyltellurolate Complexes: From Small Molecules to Nanoclusters via Condensation Reactions
Marty W. DeGroot; Michael W. Cockburn; Mark S. Workentin; John F. Corrigan; Inorganic Chemistry 40 (2001) 4678–4685; doi:10.1021/ic001260k

data_4320147
_publ_section_title
;
 Trialkylphosphine-Stabilized Copper-Phenyltellurolate Complexes: From
 Small Molecules to Nanoclusters via Condensation Reactions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4678
_journal_page_last               4685
_journal_paper_doi               10.1021/ic001260k
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C144 H250 Cu39 P13 Te27'
_chemical_formula_weight         8307.31
_chemical_name_systematic
; 
 ? 
;
_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                87.518(8)
_cell_angle_beta                 88.547(8)
_cell_angle_gamma                64.092(8)
_cell_formula_units_Z            2
_cell_length_a                   19.6195(2)
_cell_length_b                   20.6286(3)
_cell_length_c                   32.1828(5)
_cell_measurement_reflns_used    52023
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.53
_cell_measurement_theta_min      2.57
_cell_volume                     11704.8(8)
_computing_cell_refinement       DenzoSMN
_computing_data_collection       'Nonius Collect'
_computing_data_reduction        DenzoSMN
_computing_structure_refinement  'SHELXTL Ver 5.10'
_computing_structure_solution    'SHELXTL Ver 5.10'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'Phi frames plus omega to complete'
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.1099
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            52023
_diffrn_reflns_theta_full        27.53
_diffrn_reflns_theta_max         27.53
_diffrn_reflns_theta_min         2.57
_exptl_absorpt_coefficient_mu    6.877
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.357
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             7688
_exptl_crystal_size_max          0.22mm
_exptl_crystal_size_mid          0.17mm
_exptl_crystal_size_min          0.03mm
_refine_diff_density_max         1.883
_refine_diff_density_min         -1.789
_refine_diff_density_rms         0.233
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1381
_refine_ls_number_reflns         52023
_refine_ls_number_restraints     34
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.1305
_refine_ls_R_factor_gt           0.0644
_refine_ls_shift/su_max          0.058
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0747P)^2^+23.1364P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1491
_refine_ls_wR_factor_ref         0.1698
_reflns_number_gt                30299
_reflns_number_total             52023
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic001260k_6.cif
_cod_data_source_block           99108
_cod_original_cell_volume        11704.8(3)
_cod_database_code               4320147