Inorganic click (iClick) synthesis of heterotrinuclear Pt(II)/Au(I)2 complexes.
Powers, Andrew R.; Yang, Xi; Del Castillo, Trevor J.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.; Dalton transactions (Cambridge, England : 2003) 42 (2013) 14963–14966; doi:10.1039/c3dt52105b

data_7023781
_publ_section_title
;
 Inorganic click (iClick) synthesis of heterotrinuclear Pt(II)/Au(I)2
 complexes.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14963
_journal_page_last               14966
_journal_paper_doi               10.1039/c3dt52105b
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C370.75 H311.5 Au8 Cl9.5 N32 O16 P16 Pt4'
_chemical_formula_weight         8659.41
_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
_audit_update_record
;
2013-03-19 # Formatted by publCIF
;
_cell_angle_alpha                60.6370(10)
_cell_angle_beta                 61.9650(10)
_cell_angle_gamma                84.409(2)
_cell_formula_units_Z            2
_cell_length_a                   27.823(3)
_cell_length_b                   28.101(3)
_cell_length_c                   28.510(3)
_cell_measurement_reflns_used    9764
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.25
_cell_measurement_theta_min      2.21
_cell_volume                     16889(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 v1.2.2'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_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  0.1147
_diffrn_reflns_av_sigmaI/netI    0.1958
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            236008
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         0.84
_exptl_absorpt_coefficient_mu    5.327
_exptl_absorpt_correction_T_max  0.8828
_exptl_absorpt_correction_T_min  0.6814
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.703
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             8467
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.02
_platon_squeeze_details
;
;
_refine_diff_density_max         3.284
_refine_diff_density_min         -2.923
_refine_diff_density_rms         0.190
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.877
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3958
_refine_ls_number_reflns         77525
_refine_ls_number_restraints     54
_refine_ls_restrained_S_all      0.879
_refine_ls_R_factor_all          0.1459
_refine_ls_R_factor_gt           0.0515
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0333P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0955
_refine_ls_wR_factor_ref         0.1142
_reflns_number_gt                36301
_reflns_number_total             77525
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt52105b.txt
_cod_data_source_block           apow11
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C370.75 H311.50 Au8 Cl9.50 N32 O16 P16 Pt4'
_cod_database_code               7023781