Complexes with Platinum−Ruthenium Bonds: Synthesis, Structure, and Fluxionality of Pt3Ru Cluster Complexes
Sterenberg, Brian T.; Jennings, Michael C.; Puddephatt, Richard J.; Organometallics 18 (1999) 3737–; doi:10.1021/om990325s

data_4077801
_publ_section_title
;
 Complexes with Platinum&#x2212;Ruthenium Bonds:&#x00A0; Synthesis,
 Structure, and Fluxionality of Pt3Ru Cluster Complexes
;
_journal_issue                   18
_journal_name_full               Organometallics
_journal_page_first              3737
_journal_paper_doi               10.1021/om990325s
_journal_volume                  18
_journal_year                    1999
_chemical_formula_sum            'C80 H69 Cl2 F6 O4 P7 Pt3 Ru'
_chemical_formula_weight         2182.38
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.0317(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.6881(3)
_cell_length_b                   26.5007(4)
_cell_length_c                   23.6364(5)
_cell_measurement_temperature    293(2)
_cell_volume                     7869.6(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0413
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            16026
_diffrn_reflns_theta_full        26.35
_diffrn_reflns_theta_max         26.35
_diffrn_reflns_theta_min         1.54
_exptl_absorpt_coefficient_mu    5.778
_exptl_absorpt_correction_T_max  0.4400
_exptl_absorpt_correction_T_min  0.2946
_exptl_crystal_density_diffrn    1.842
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4208
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.273
_refine_diff_density_min         -0.871
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     932
_refine_ls_number_reflns         16026
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0578
_refine_ls_R_factor_gt           0.0397
_refine_ls_shift/su_max          0.290
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0450P)^2^+25.9539P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0930
_refine_ls_wR_factor_ref         0.1035
_reflns_number_gt                12715
_reflns_number_total             16026
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om990325s.cif
_cod_data_source_block           98021b
_cod_database_code               4077801