A New Class of Electron-Rich Unsaturated Molecules: Ru2HnX4-n(PiPr3)4, X = Anion
Joseph N. Coalter; John C. Huffman; William E. Streib; Kenneth G. Caulton; Inorganic Chemistry 39 (2000) 3757–3764; doi:10.1021/ic991112y

data_4321280
_publ_section_title
;
 A New Class of Electron-Rich Unsaturated Molecules: Ru2HnX4-n(PiPr3)4, X
 = Anion
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3757
_journal_page_last               3764
_journal_paper_doi               10.1021/ic991112y
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C36 H84 Cl3 P4 Ru2'
_chemical_formula_weight         949.456
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_audit_creation_method
'minor manual editing of SDT2CIF v. 1.0 BETA  output'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.403(9)
_cell_length_b                   18.805(13)
_cell_length_c                   36.46(3)
_cell_measurement_reflns_used    50
_cell_measurement_theta_max      12.03
_cell_measurement_theta_min      9.56
_cell_volume                     9190(12)
_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_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  0.163
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            26383
_diffrn_reflns_theta_full        0
_diffrn_reflns_theta_max         25.0153
_diffrn_reflns_theta_min         3.03947
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 5
_diffrn_standards_number         4
_exptl_absorpt_coefficient_mu    0.9938
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   none
_exptl_crystal_density_diffrn    1.372
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3992
_refine_diff_density_max         1.34
_refine_diff_density_min         -1.48
_refine_ls_abs_structure_details none
_refine_ls_extinction_coef       -0.000000025(7)
_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   1.0169
_refine_ls_matrix_type           full
_refine_ls_number_parameters     407
_refine_ls_number_reflns         4432
_refine_ls_R_factor_gt           0.0673
_refine_ls_shift/su_max          0.0442
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w^-1^=\s^2^(F)+(.03F)^2^
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.043
_reflns_number_gt                3579
_reflns_number_total             8084
_reflns_threshold_expression     F^2^>2.33\s(F^2^)
_cod_data_source_file            ic991112y_1.cif
_cod_data_source_block           MSC98008
_cod_original_cell_volume        9190(11)
_cod_database_code               4321280