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_7013629
_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            'C88 H72 Cl6 Ir4 N2 O10 P4 Sn2'
_chemical_formula_weight         2660.36
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           'from The Personal SDP version 2.1.1'
_cell_angle_alpha                104.69(1)
_cell_angle_beta                 93.39(1)
_cell_angle_gamma                90.39(1)
_cell_formula_units_Z            2
_cell_length_a                   11.096(1)
_cell_length_b                   15.007(1)
_cell_length_c                   27.976(3)
_cell_measurement_reflns_used    124
_cell_measurement_temperature    223
_cell_measurement_theta_max      23
_cell_measurement_theta_min      3
_cell_volume                     4497.2(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  0.0404
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_reduction_process SAINT
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.00
_diffrn_standards_decay_%        0.00
_diffrn_standards_number         178
_exptl_absorpt_coefficient_mu    6.73
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.504
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '  SADABS'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.964
_exptl_crystal_description       prism
_exptl_crystal_F_000             2528
_exptl_crystal_size_max          0.338
_exptl_crystal_size_mid          0.225
_exptl_crystal_size_min          0.113
_refine_diff_density_max         1.357
_refine_diff_density_min         -.937
_refine_ls_goodness_of_fit_all   0.948
_refine_ls_goodness_of_fit_obs   0.948
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     1015
_refine_ls_number_reflns         21679
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.062
_refine_ls_R_factor_obs          0.062
_refine_ls_shift/esd_max         0.078
_refine_ls_shift/esd_mean        0.014
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.079
_cod_data_source_file            b310790f.txt
_cod_data_source_block           '[N(PPh3)2]2_2_C6H12'
_cod_original_cell_volume        4497.2(8)
_cod_database_code               7013629
_diffrn_reflns_number_total      46397
_diffrn_reflns_number_independent 21679
_total_number_of_frames          2450
_time_per_frame_seconds          25
_frame_width_degrees             0.30
_detector_sample_distance_cm     5.00
_conventional_r1_(i>2\s(i))      0.038
_refine_diff_density_esd         0.531