Synthesis and Characterization of Mixed Ruthenium/Platinum μ4-Phosphinidene, Phosphorus Monoxide, and Related Clusters
Ludmila Scoles; John H. Yamamoto; Luc Brissieux; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty; Inorganic Chemistry 40 (2001) 6731–6736; doi:10.1021/ic0106423

data_4320712
_publ_section_title
;
 Synthesis and Characterization of Mixed Ruthenium/Platinum
 \m4-Phosphinidene, Phosphorus Monoxide, and Related Clusters
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6731
_journal_page_last               6736
_journal_paper_doi               10.1021/ic0106423
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C37 H29 N O13 P2 Pt Ru4'
_chemical_formula_weight         1356.92
_chemical_name_systematic
;
?
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 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                 97.01
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.4002(7)
_cell_length_b                   11.4675(6)
_cell_length_c                   13.7739(8)
_cell_measurement_temperature    173(2)
_cell_volume                     2100.8(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_wavelength     0.70930
_diffrn_reflns_av_R_equivalents  0.0481
_diffrn_reflns_av_sigmaI/netI    0.1110
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            19695
_diffrn_reflns_theta_full        28.68
_diffrn_reflns_theta_max         28.68
_diffrn_reflns_theta_min         1.49
_exptl_absorpt_coefficient_mu    4.862
_exptl_crystal_density_diffrn    2.145
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1292
_refine_diff_density_max         1.281
_refine_diff_density_min         -1.059
_refine_diff_density_rms         0.150
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.010(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.802
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     523
_refine_ls_number_reflns         10720
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.802
_refine_ls_R_factor_all          0.0697
_refine_ls_R_factor_gt           0.0392
_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^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0542
_refine_ls_wR_factor_ref         0.0589
_reflns_number_gt                7830
_reflns_number_total             10720
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0106423_1.cif
_cod_data_source_block           jhy55
_cod_database_code               4320712