Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks: Synthesis and Characterization of (η^5^-C~5~Me~5~Ru)~2~(μ-H)B~4~H~m~Cl~n~, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe~2~)-2,3-(η^5^-C~5~Me~5~Ru)~2~(μ~3~-H)B~5~HCl~3~, and closo-2,3-(η^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~
Ghosh, Sundargopal; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce C.; Organometallics 24 (2005) 2473–2480; doi:10.1021/om050083y

data_1100854
_publ_section_title
;
 Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks:
 Synthesis and Characterization of (\h^5^-C~5~Me~5~Ru)~2~(\m-H)B~4~H~m~Cl~n~,
 (m, n = 4, 3; 5, 2; 7, 2),
 closo-1-(SMe~2~)-2,3-(\h^5^-C~5~Me~5~Ru)~2~(\m~3~-H)B~5~HCl~3~, and
 closo-2,3-(\h^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~
;
_journal_coden_ASTM              ORGND7
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2473
_journal_page_last               2480
_journal_paper_doi               10.1021/om050083y
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C20 H41 B8 Cl Ru2'
_chemical_formula_sum            'C20 H41 B8 Cl Ru2'
_chemical_formula_weight         605.60
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.705(4)
_cell_length_b                   13.701(4)
_cell_length_c                   19.123(6)
_cell_measurement_reflns_used    8827
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.521
_cell_measurement_theta_min      2.353
_cell_volume                     2542.8(15)
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0388
_diffrn_reflns_av_sigmaI/netI    0.0249
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            27057
_diffrn_reflns_theta_max         31.56
_diffrn_reflns_theta_min         2.13
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_exptl_absorpt_coefficient_mu    1.300
_exptl_absorpt_correction_T_max  0.9261
_exptl_absorpt_correction_T_min  0.6810
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Blessing, R. H. Acta Cryst. (1995) A51. 33-8'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.582
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1224
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.06
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.59(7)
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.219
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     323
_refine_ls_number_reflns         4724
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.219
_refine_ls_R_factor_all          0.0476
_refine_ls_R_factor_gt           0.0451
_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^)+(0.0493P)^2^+6.1462P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1095
_refine_ls_wR_factor_ref         0.1108
_reflns_number_gt                4511
_reflns_number_total             4724
_reflns_threshold_expression     >2sigma(I)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)2(1)2(1)
_cod_database_code               1100854