A heterodinuclear, formal Au<sup>+I</sup>Pt<sup>0</sup> complex with weakly bound alkene ligands.
Ernst, Lukas D.; Koessler, Konstantin; Peter, Andreas; Kratzert, Daniel; Scherer, Harald; Butschke, Burkhard; Chemical communications (Cambridge, England) 56 (2020) 5350–5353; doi:10.1039/d0cc01719a

data_7126325
_publ_section_title
;
 A heterodinuclear, formal Au<sup>+I</sup>Pt<sup>0</sup> complex with
 weakly bound alkene ligands.
;
_journal_issue                   40
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              5350
_journal_page_last               5353
_journal_paper_doi               10.1039/d0cc01719a
_journal_volume                  56
_journal_year                    2020
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C32 H12 B F24, C39 H45 Au P Pt, 3(C H2 Cl2)'
_chemical_formula_sum            'C74 H63 Au B Cl6 F24 P Pt'
_chemical_formula_weight         2054.78
_chemical_properties_physical    Heat-sensitive
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_method           'FinalCif by Daniel Kratzert, Freiburg 2019'
_audit_update_record
;
2019-11-16 deposited with the CCDC.	2020-04-02 downloaded from the CCDC.
;
_cell_angle_alpha                82.1010(10)
_cell_angle_beta                 88.7640(10)
_cell_angle_gamma                64.2590(10)
_cell_formula_units_Z            1
_cell_length_a                   12.7747(6)
_cell_length_b                   12.7853(6)
_cell_length_c                   13.1193(6)
_cell_measurement_reflns_used    9800
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      30.335
_cell_measurement_theta_min      2.4175
_cell_volume                     1910.06(15)
_computing_cell_refinement       'SAINT V8.38A'
_computing_data_collection       'APEX3 v2018.7-2'
_computing_data_reduction        'SAINT V8.38A'
_computing_publication_material  'FinalCif by Daniel Kratzert, Freiburg 2019'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100.0
_diffrn_detector                 CPAD
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0613
_diffrn_reflns_av_unetI/netI     0.0245
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            289821
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.592
_diffrn_reflns_theta_min         1.890
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    4.079
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.7009
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction:
Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48
(2015) 3-10
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.786
_exptl_crystal_description       block
_exptl_crystal_F_000             1002
_exptl_crystal_recrystallization_method
'The crystals were obtained at -78 \%C from a solution of the compound dissolvedin methylene chloride saturated at -50 \%C.'
_exptl_crystal_size_max          0.050
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.800
_refine_diff_density_min         -0.889
_refine_diff_density_rms         0.086
_refine_ls_abs_structure_details
;
 Flack x determined using 10462 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.0146(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1171
_refine_ls_number_reflns         23248
_refine_ls_number_restraints     872
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0250
_refine_ls_R_factor_gt           0.0230
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0310P)^2^+0.9218P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0560
_refine_ls_wR_factor_ref         0.0568
_reflns_Friedel_coverage         0.985
_reflns_Friedel_fraction_full    0.996
_reflns_Friedel_fraction_max     0.983
_reflns_number_gt                22147
_reflns_number_total             23248
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0cc01719a2.cif
_cod_data_source_block           BB_LDE21_0m_b
_cod_depositor_comments
'Adding full bibliography for 7126324--7126326.cif.'
_cod_database_code               7126325
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.822
_shelx_estimated_absorpt_t_max   0.923
_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
_shelx_res_checksum              13664