Neutral and cationic ruthenium hydrotris(pyrazolyl)borate derivatives containing bulky monodentate phosphines. Crystal structures of [RuTp(H2O)(PPri2Me)2][CF3SO3]·EtOH and [RuTp(N2)(PEt3)2][BPh4]
Tenorio, Miguel A. Jiménez; Jiménez Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro; Journal of the Chemical Society, Dalton Transactions  (1998) 3601–; doi:10.1039/a804866e

data_7028049
_publ_section_title
;
 Neutral and cationic ruthenium hydrotris(pyrazolyl)borate derivatives
 containing bulky monodentate phosphines. Crystal structures of
 [RuTp(H2O)(PPri2Me)2][CF3SO3]&#x00B7;EtOH and [RuTp(N2)(PEt3)2][BPh4]
;
_journal_issue                   21
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3601
_journal_paper_doi               10.1039/a804866e
_journal_year                    1998
_chemical_formula_sum            'C26 H52 B F3 N6 O5 P2 Ru S'
_chemical_formula_weight         791.62
_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'
_audit_creation_date             'Mon May 18 13:17:49 1998'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 90.44(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.337(5)
_cell_length_b                   11.550(3)
_cell_length_c                   22.555(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    290.2
_cell_measurement_theta_max      15.4
_cell_measurement_theta_min      12.7
_cell_volume                     3734.8(18)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_ambient_temperature      290.2
_diffrn_measurement_device       AFC6S
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      0.03385
_diffrn_orient_matrix_UB_12      -0.07009
_diffrn_orient_matrix_UB_13      0.01480
_diffrn_orient_matrix_UB_21      0.05381
_diffrn_orient_matrix_UB_22      0.04972
_diffrn_orient_matrix_UB_23      0.01241
_diffrn_orient_matrix_UB_31      -0.02870
_diffrn_orient_matrix_UB_32      0.01054
_diffrn_orient_matrix_UB_33      0.03991
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  8.38
_diffrn_reflns_number            6012
_diffrn_reflns_theta_max         25.05
_diffrn_standards_decay_%        -4.40
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.603
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.905
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   psi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.408
_exptl_crystal_density_meas      0.000
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1648.00
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.140
_refine_diff_density_max         -0.97
_refine_diff_density_min         1.42
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   2.071
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         3434
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0619
_refine_ls_shift/esd_max         1.1307
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0747
_reflns_number_observed          3434
_reflns_number_total             6012
_reflns_observed_criterion       3.00
_cod_data_source_file            e804866sup1.cif
_cod_data_source_block           '[TpRu(OH2)(PMeiPr2)2]'
_cod_original_cell_volume        3734(1)
_cod_original_sg_symbol_H-M      'P 21/c     '
_cod_original_formula_sum        'C26 H52 B F3 N6 O5 P2 S Ru '
_cod_database_code               7028049