Mixed noble metal-oxo clusters: platinum(IV)-gold(III) oxoanion [Pt<sup>IV</sup><sub>2</sub>Au<sup>III</sup><sub>3</sub>O<sub>6</sub>((CH<sub>3</sub>)<sub>2</sub>AsO<sub>2</sub>)<sub>6</sub>]<sup/>.
Zhang, Jiayao; Bhattacharya, Saurav; Müller, Anja B; Kiss, Levente; Silvestru, Cristian; Kuhnert, Nikolai; Kortz, Ulrich; Chemical communications (Cambridge, England) 59 (2023) 5918–5921; doi:10.1039/d3cc00243h

data_7131564
_publ_section_title
;
 Mixed noble metal-oxo clusters: platinum(IV)-gold(III) oxoanion
 [Pt<sup>IV</sup><sub>2</sub>Au<sup>III</sup><sub>3</sub>O<sub>6</sub>((CH<sub>3</sub>)<sub>2</sub>AsO<sub>2</sub>)<sub>6</sub>]<sup/>.
;
_journal_issue                   39
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              5918
_journal_page_last               5921
_journal_paper_doi               10.1039/d3cc00243h
_journal_volume                  59
_journal_year                    2023
_chemical_formula_sum            'C12 H36 As6 Au3 Cl N Na3 O27 Pt2'
_chemical_formula_weight         2161.44
_space_group_crystal_system      hexagonal
_space_group_IT_number           174
_space_group_name_Hall           'P -6'
_space_group_name_H-M_alt        'P -6'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-03-22 deposited with the CCDC.	2023-04-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   10.933(3)
_cell_length_b                   10.933(3)
_cell_length_c                   20.585(5)
_cell_measurement_reflns_used    2531
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.850
_cell_measurement_theta_min      3.667
_cell_volume                     2130.9(10)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1073
_diffrn_reflns_av_unetI/netI     0.0589
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            22878
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        24.850
_diffrn_reflns_theta_max         24.850
_diffrn_reflns_theta_min         3.667
_exptl_absorpt_coefficient_mu    10.817
_exptl_absorpt_correction_T_max  0.692
_exptl_absorpt_correction_T_min  0.388
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.684
_exptl_crystal_description       Hexagonal
_exptl_crystal_F_000             972
_exptl_crystal_size_max          0.115
_exptl_crystal_size_mid          0.076
_exptl_crystal_size_min          0.034
_refine_diff_density_max         5.723
_refine_diff_density_min         -3.135
_refine_diff_density_rms         0.376
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.49(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     84
_refine_ls_number_reflns         2531
_refine_ls_number_restraints     57
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0713
_refine_ls_R_factor_gt           0.0606
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0889P)^2^+83.1903P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1538
_refine_ls_wR_factor_ref         0.1632
_reflns_Friedel_coverage         0.982
_reflns_Friedel_fraction_full    0.993
_reflns_Friedel_fraction_max     0.993
_reflns_number_gt                2230
_reflns_number_total             2531
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3cc00243h2.cif
_cod_data_source_block           Na-1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7131563--7131565.cif.
;
_cod_original_cell_volume        2130.9(12)
_cod_database_code               7131564
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              68789
_shelx_hkl_checksum              68970
_shelx_fab_checksum              58373