Ruthenium and osmium carbonyl clusters incorporating stannylene and stannyl ligands
Kabir, Shariff E.; Raha, Arun K.; Hassan, Mohammad R.; Nicholson, Brian K.; Rosenberg, Edward; Sharmin, Ayesha; Salassa, Luca; Dalton Transactions  (2008) 4212–4219; doi:10.1039/b805024d

data_7004283
_publ_section_title
;
 Ruthenium and osmium carbonyl clusters incorporating stannylene and
 stannyl ligands
;
_journal_issue                   32
_journal_name_full               'Dalton Transactions'
_journal_page_first              4212
_journal_page_last               4219
_journal_paper_doi               10.1039/b805024d
_journal_year                    2008
_chemical_formula_moiety         'C55 H42 O6 P2 Ru3 S2 Sn, C H2 Cl2'
_chemical_formula_sum            'C56 H44 Cl2 O6 P2 Ru3 S2 Sn'
_chemical_formula_weight         1431.77
_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-97
_cell_angle_alpha                101.979(1)
_cell_angle_beta                 103.852(1)
_cell_angle_gamma                92.297(1)
_cell_formula_units_Z            2
_cell_length_a                   11.9706(3)
_cell_length_b                   12.1970(3)
_cell_length_c                   19.8844(5)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    89(2)
_cell_measurement_theta_max      26
_cell_measurement_theta_min      2
_cell_volume                     2745.07(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      89(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker SMART CCD'
_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  0.0200
_diffrn_reflns_av_sigmaI/netI    0.0274
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            26441
_diffrn_reflns_theta_full        26.31
_diffrn_reflns_theta_max         26.31
_diffrn_reflns_theta_min         1.08
_exptl_absorpt_coefficient_mu    1.540
_exptl_absorpt_correction_T_max  0.781
_exptl_absorpt_correction_T_min  0.700
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.732
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1412
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.678
_refine_diff_density_min         -1.063
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     649
_refine_ls_number_reflns         11038
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0299
_refine_ls_R_factor_gt           0.0224
_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^)+(0.0180P)^2^+3.8844P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0501
_refine_ls_wR_factor_ref         0.0536
_reflns_number_gt                9692
_reflns_number_total             11038
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b805024d.txt
_cod_data_source_block           akr29b
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7004283