An unprecedented, reversible coordination mode rearrangement: eta3(B-H) vs.eta1(Sn) stanna-closo-dodecaborate coordination.
Gädt, Torben; Wesemann, Lars; Dalton transactions (Cambridge, England : 2003)  (2006) 328–329; doi:10.1039/b514203m

data_7006806
_publ_section_title
;
 An unprecedented, reversible coordination mode rearrangement:
 eta3(B-H) vs.eta1(Sn) stanna-closo-dodecaborate coordination.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              328
_journal_page_last               329
_journal_paper_doi               10.1039/b514203m
_journal_year                    2006
_chemical_formula_moiety
'C32 H56 B22 N2 P2 Ru Sn2, (C13 H30 N)2, 2.5(C H2 Cl2)'
_chemical_formula_sum            'C60.5 H121 B22 Cl5 N4 P2 Ru Sn2'
_chemical_formula_weight         1720.07
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                103.836(10)
_cell_angle_beta                 94.170(9)
_cell_angle_gamma                103.845(9)
_cell_formula_units_Z            2
_cell_length_a                   10.9379(11)
_cell_length_b                   17.702(2)
_cell_length_c                   23.203(3)
_cell_measurement_reflns_used    45390
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      59.21
_cell_measurement_theta_min      4.06
_cell_volume                     4195.1(9)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2004)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2004)'
_computing_data_reduction        'X-RED (Stoe & Cie, 2004)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'SHELXL97 and WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.953
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'Stoe IPDS 2T'
_diffrn_measurement_method       \w
_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  0.0437
_diffrn_reflns_av_sigmaI/netI    0.0366
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            40651
_diffrn_reflns_theta_full        29.29
_diffrn_reflns_theta_max         29.29
_diffrn_reflns_theta_min         3.16
_exptl_absorpt_coefficient_mu    1.004
_exptl_absorpt_correction_T_max  0.8991
_exptl_absorpt_correction_T_min  0.7927
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'X-Red and X-Shape (Stoe & Cie, 2004)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.362
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1762
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         2.403
_refine_diff_density_min         -2.139
_refine_diff_density_rms         0.141
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.122
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     876
_refine_ls_number_reflns         21839
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.122
_refine_ls_R_factor_all          0.0952
_refine_ls_R_factor_gt           0.0785
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0613P)^2^+28.3916P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1872
_refine_ls_wR_factor_ref         0.1983
_reflns_number_gt                18034
_reflns_number_total             21839
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b514203m.txt
_cod_data_source_block           tg07
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_cell_volume        4195.2(8)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C60.50 H121 B22 Cl5 N4 P2 Ru Sn2'
_cod_database_code               7006806