Triphosphine-supported bimetallic Au(I)-M(I) (M = Ag, Cu) alkynyl clusters.
Krytchankou, Ilya S.; Krupenya, Dmitry V.; Karttunen, Antti J.; Tunik, Sergey P.; Pakkanen, Tapani A.; Chou, Pi-Tai; Koshevoy, Igor O.; Dalton transactions (Cambridge, England : 2003) 43 (2014) 3383–3394; doi:10.1039/c3dt52658e

data_7029080
_publ_section_title
;
 Triphosphine-supported bimetallic Au(I)-M(I) (M = Ag, Cu) alkynyl
 clusters.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3383
_journal_page_last               3394
_journal_paper_doi               10.1039/c3dt52658e
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C56 H62 Au3 Cu O3 P3, F6 P, 4(C H2 Cl2)'
_chemical_formula_sum            'C60 H70 Au3 Cl8 Cu F6 O3 P4'
_chemical_formula_weight         2015.08
_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                98.668(2)
_cell_angle_beta                 103.591(2)
_cell_angle_gamma                93.497(2)
_cell_formula_units_Z            4
_cell_length_a                   12.5790(4)
_cell_length_b                   22.2737(7)
_cell_length_c                   26.5801(8)
_cell_measurement_reflns_used    9385
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      41.00
_cell_measurement_theta_min      2.65
_cell_volume                     7119.9(4)
_computing_cell_refinement       'SAINT (Bruker AXS, 2009)'
_computing_data_collection       'APEX2 (Bruker AXS, 2010)'
_computing_data_reduction        'SAINT (Bruker AXS, 2009)'
_computing_molecular_graphics    'Diamond v.3.2g (Brandenburg, 2011)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device
'62mm x 62mm CCD camera on three-circle goniostat'
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD'
_diffrn_measurement_method       '\f scans and \w scans'
_diffrn_radiation_monochromator  'flat graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0380
_diffrn_reflns_av_sigmaI/netI    0.0249
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            168004
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    6.904
_exptl_absorpt_correction_T_max  0.1596
_exptl_absorpt_correction_T_min  0.0663
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.880
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3880
_exptl_crystal_size_max          0.86
_exptl_crystal_size_mid          0.79
_exptl_crystal_size_min          0.42
_refine_diff_density_max         4.455
_refine_diff_density_min         -2.837
_refine_diff_density_rms         0.171
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1556
_refine_ls_number_reflns         26371
_refine_ls_number_restraints     49
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0450
_refine_ls_R_factor_gt           0.0363
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0392P)^2^+76.7084P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0915
_refine_ls_wR_factor_ref         0.0985
_reflns_number_gt                23176
_reflns_number_total             26371
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt52658e.txt
_cod_data_source_block           2a
_cod_database_code               7029080