A coordinatively flexible ligand for carbonyl clusters: bridging and terminal SnCl3 groups in the iridium clusters [Ir4(CO)11(μ-SnCl3)]-, [Ir4(CO)10(SnCl3)(μ-SnCl3)]2- and [Ir6(CO)15(μ3-SnCl3)]-
Garlaschelli, Luigi; Greco, Francesco; Peli, Giulia; Manassero, Mario; Sansoni, Mirella; Pergola, Roberto Della; Dalton Transactions  (2003) 4700–4703; doi:10.1039/b310790f

data_7013628
_publ_section_title
;
 A coordinatively flexible ligand for carbonyl clusters: bridging and
 terminal SnCl3 groups in the iridium clusters [Ir4(CO)11(\m-SnCl3)]-,
 [Ir4(CO)10(SnCl3)(\m-SnCl3)]2- and [Ir6(CO)15(\m3-SnCl3)]-
;
_journal_coden_ASTM              DTARAF
_journal_issue                   24
_journal_name_full               'Dalton Transactions'
_journal_page_first              4700
_journal_page_last               4703
_journal_paper_doi               10.1039/b310790f
_journal_year                    2003
_chemical_formula_sum            'C35 H20 Cl3 Ir4 O11 P Sn'
_chemical_formula_weight         1641.37
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           'from The Personal SDP version 2.1.1'
_cell_angle_alpha                90
_cell_angle_beta                 91.83(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.032(1)
_cell_length_b                   36.926(4)
_cell_length_c                   12.169(1)
_cell_measurement_reflns_used    146
_cell_measurement_temperature    223
_cell_measurement_theta_max      23
_cell_measurement_theta_min      3
_cell_volume                     4056.5(7)
_computing_cell_refinement       'SMART (Bruker)'
_computing_data_collection       'SMART (Bruker)'
_computing_data_reduction        'SAINT (Bruker)'
_computing_molecular_graphics    'The Personal SDP (1991)'
_computing_publication_material  'The Personal SDP (1991)'
_computing_structure_refinement
' Full-matrix least-squares  (The Personal SDP, 1991)'
_computing_structure_solution
' SHELXS-86  (Sheldrick, 1986) as implemented in The Personal SDP'
_diffrn_ambient_temperature      223
_diffrn_measurement_device       'SMART (Bruker)'
_diffrn_measurement_method       omega
_diffrn_radiation_detector       'SMART CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           Mo-K\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0419
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       47
_diffrn_reflns_limit_k_min       -47
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_reduction_process SAINT
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.00
_diffrn_standards_decay_%        0.03
_diffrn_standards_number         217
_exptl_absorpt_coefficient_mu    13.93
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.192
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '  SADABS'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    2.687
_exptl_crystal_description       plate
_exptl_crystal_F_000             2968
_exptl_crystal_size_max          0.432
_exptl_crystal_size_mid          0.287
_exptl_crystal_size_min          0.035
_refine_diff_density_max         1.824
_refine_diff_density_min         -2.279
_refine_ls_goodness_of_fit_all   1.014
_refine_ls_goodness_of_fit_obs   1.014
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     508
_refine_ls_number_reflns         9786
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.050
_refine_ls_R_factor_obs          0.050
_refine_ls_shift/esd_max         0.113
_refine_ls_shift/esd_mean        0.021
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.076
_cod_data_source_file            b310790f.txt
_cod_data_source_block           '[PPh4]_1a'
_cod_database_code               7013628
_diffrn_reflns_number_total      37426
_diffrn_reflns_number_independent 9786
_total_number_of_frames          1850
_time_per_frame_seconds          25
_frame_width_degrees             0.30
_detector_sample_distance_cm     5.00
_conventional_r1_(i>2\s(i))      0.034
_refine_diff_density_esd         0.587