Reactivity of [RuHCl(PiPr3)2]2 with Functionalized Vinyl Substrates. The H2 Ligand as a Sensitive Probe of Electronic Structure
Joseph N. Coalter; William E. Streib; Kenneth G. Caulton; Inorganic Chemistry 39 (2000) 3749–3756; doi:10.1021/ic9905998

data_4321278
_publ_section_title
;
 Reactivity of [RuHCl(PiPr3)2]2 with Functionalized Vinyl Substrates. The
 H2 Ligand as a Sensitive Probe of Electronic Structure
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3749
_journal_page_last               3756
_journal_paper_doi               10.1021/ic9905998
_journal_volume                  39
_journal_year                    2000
_chemical_formula_moiety         'C25 H48 Cl N P2 Ru'
_chemical_formula_sum            'C25 H48 Cl N P2 Ru'
_chemical_formula_weight         561.133
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method
'minor manual editing of SDT2CIF v. 1.2 BETA  output'
_cell_angle_alpha                90
_cell_angle_beta                 115.515(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   36.815(3)
_cell_length_b                   8.8104(5)
_cell_length_c                   18.9973(12)
_cell_measurement_reflns_used    240
_cell_measurement_temperature    109
_cell_measurement_theta_max      16
_cell_measurement_theta_min      10.26
_cell_volume                     5560.9(7)
_computing_cell_refinement       'XTEL, local package'
_computing_data_collection       'NPS, local program'
_computing_data_reduction        'XTEL, local package'
_computing_molecular_graphics    'XTEL, local package'
_computing_publication_material  'XTEL, local package'
_computing_structure_refinement  'XTEL, local package'
_computing_structure_solution    MULTAN78
_diffrn_ambient_temperature      109
_diffrn_measured_fraction_theta_full 0
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'refurbished Picker diffractometer'
_diffrn_measurement_method       '\q/2\q scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.03
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -47
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            12199
_diffrn_reflns_theta_full        0
_diffrn_reflns_theta_max         27.4944
_diffrn_reflns_theta_min         3.10808
_diffrn_standards_decay_%        0.1
_diffrn_standards_interval_count 500
_diffrn_standards_number         4
_exptl_absorpt_coefficient_mu    0.7874
_exptl_absorpt_correction_T_max  0.885
_exptl_absorpt_correction_T_min  0.783
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   Tompa
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.34
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             2368
_exptl_crystal_size_max          .30
_exptl_crystal_size_mid          .25
_exptl_crystal_size_min          .20
_refine_diff_density_max         0.33
_refine_diff_density_min         -0.35
_refine_ls_abs_structure_details none
_refine_ls_extinction_coef       0.00000019(2)
_refine_ls_extinction_expression
;

Larson, A. C. (1967).  Acta Cryst. 23, p. 664.  Eq. (3)

;
_refine_ls_extinction_method     Zachariasen
_refine_ls_goodness_of_fit_ref   1.0952
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     272
_refine_ls_number_reflns         5379
_refine_ls_R_factor_gt           0.0324
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w^-1^=\s^2^(F)+(.07F)^2^
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0393
_reflns_number_gt                5378
_reflns_number_total             6389
_reflns_threshold_expression     F>3.0\s(F)
_cod_data_source_file            ic9905998.cif
_cod_data_source_block           MSC98081
_cod_original_cell_volume        5560.9(6)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4321278