Dynamic behaviour of Ru and Ru-Pt complexes containing tetrahedro-P(4) ligand.
Mirabello, Vincenzo; Caporali, Maria; Gallo, Vito; Gonsalvi, Luca; Ienco, Andrea; Latronico, Mario; Mastrorilli, Piero; Peruzzini, Maurizio; Dalton transactions (Cambridge, England : 2003) 40 (2011) 9668–9671; doi:10.1039/c1dt10572h

data_7016654
_publ_section_title
;
 Dynamic behaviour of Ru and Ru-Pt complexes containing tetrahedro-P(4)
 ligand.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9668
_journal_page_last               9671
_journal_paper_doi               10.1039/c1dt10572h
_journal_volume                  40
_journal_year                    2011
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C50 H45 P8 Ru, B F4'
_chemical_formula_sum            'C50 H45 B F4 P8 Ru'
_chemical_formula_weight         1081.5
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2009-04-02T21:49:55-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 94.9185(13)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.5322(2)
_cell_length_b                   23.5016(3)
_cell_length_c                   23.7195(4)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_measurement_wavelength     1.5418
_cell_volume                     9737.3(2)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
;
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 8.1241
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_orient_matrix_UB_11      -0.0751911477
_diffrn_orient_matrix_UB_12      0.030911402
_diffrn_orient_matrix_UB_13      -0.0195596183
_diffrn_orient_matrix_UB_21      -0.0359473054
_diffrn_orient_matrix_UB_22      -0.0211709228
_diffrn_orient_matrix_UB_23      0.0532012833
_diffrn_orient_matrix_UB_31      0.0289180984
_diffrn_orient_matrix_UB_32      0.0537804156
_diffrn_orient_matrix_UB_33      0.0322442623
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0539
_diffrn_reflns_av_unetI/netI     0.0652
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            39029
_diffrn_reflns_theta_full        62.03
_diffrn_reflns_theta_max         62.03
_diffrn_reflns_theta_min         3.76
_exptl_absorpt_coefficient_mu    5.513
_exptl_absorpt_correction_T_max  0.332
_exptl_absorpt_correction_T_min  0.139
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.476
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             4400
_exptl_crystal_size_max          .30
_exptl_crystal_size_mid          .20
_exptl_crystal_size_min          .20
_refine_diff_density_max         1.221
_refine_diff_density_min         -0.825
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     967
_refine_ls_number_reflns         14901
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0962
_refine_ls_R_factor_gt           0.0574
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0658P)^2^+25.6628P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1292
_refine_ls_wR_factor_ref         0.1479
_reflns_number_gt                10255
_reflns_number_total             14901
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10572h.txt
_cod_data_source_block           mv4b
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C50 H45 B1 F4 P8 Ru1'
_cod_database_code               7016654