Copper-incorporated mono- and di-TeRu5 metal carbonyl complexes: syntheses, structures, and an unusual skeletal arrangement.
Shieh, Minghuey; Miu, Chia-Yeh; Hsing, Kai-Jieah; Jang, Li-Fing; Lin, Chien-Nan; Dalton transactions (Cambridge, England : 2003) 44 (2015) 6526–6536; doi:10.1039/c5dt00546a

data_7034202
_publ_section_title
;
 Copper-incorporated mono- and di-TeRu5 metal carbonyl complexes:
 syntheses, structures, and an unusual skeletal arrangement.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6526
_journal_page_last               6536
_journal_paper_doi               10.1039/c5dt00546a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety
'C38 Cu2 O38 Ru14 Te4 4-,4(C24 H20 P 1+),3(C4 H10 O)'
_chemical_formula_sum            'C146 H110 Cu2 O41 P4 Ru14 Te4'
_chemical_formula_weight         4696.67
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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_date             2015-02-09
_audit_creation_method           ' ?'
_audit_update_record
;
2015-02-17 deposited with the CCDC.
2015-02-26 downloaded from the CCDC.
;
_cell_angle_alpha                76.598(9)
_cell_angle_beta                 75.207(9)
_cell_angle_gamma                60.659(8)
_cell_formula_units_Z            1
_cell_length_a                   14.1879(18)
_cell_length_b                   14.2101(18)
_cell_length_c                   22.732(3)
_cell_measurement_temperature    200(2)
_cell_volume                     3831.6(9)
_computing_cell_refinement       'Bruker APEX2'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1119
_diffrn_reflns_av_unetI/netI     0.2123
_diffrn_reflns_Laue_measured_fraction_full 0.974
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            33070
_diffrn_reflns_point_group_measured_fraction_full 0.974
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.317
_diffrn_reflns_theta_min         2.706
_exptl_absorpt_coefficient_mu    2.471
_exptl_absorpt_correction_T_max  0.8865
_exptl_absorpt_correction_T_min  0.2926
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, 2003'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.035
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2256
_exptl_crystal_size_max          0.66
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.387
_refine_diff_density_min         -1.809
_refine_diff_density_rms         0.234
_refine_ls_extinction_coef       0.00128(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014)'
_refine_ls_goodness_of_fit_ref   0.966
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     949
_refine_ls_number_reflns         13506
_refine_ls_number_restraints     1002
_refine_ls_restrained_S_all      0.937
_refine_ls_R_factor_all          0.1851
_refine_ls_R_factor_gt           0.0805
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0830P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1636
_refine_ls_wR_factor_ref         0.2098
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6386
_reflns_number_total             13506
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt00546a2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7034201--7034204.cif.'
_cod_database_code               7034202
_shelx_estimated_absorpt_t_max   0.886
_shelx_estimated_absorpt_t_min   0.292
_shelx_shelxl_version_number     2014/7