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_7013630
_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            'C32 H22 Cl5 Ir6 N O15 Sn'
_chemical_formula_weight         2109.68
_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                85.64(1)
_cell_angle_beta                 81.15(1)
_cell_angle_gamma                78.11(1)
_cell_formula_units_Z            2
_cell_length_a                   10.321(1)
_cell_length_b                   15.465(2)
_cell_length_c                   15.482(2)
_cell_measurement_reflns_used    62
_cell_measurement_temperature    223
_cell_measurement_theta_max      23
_cell_measurement_theta_min      3
_cell_volume                     2386.8(5)
_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  0.0370
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_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         182
_exptl_absorpt_coefficient_mu    17.46
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.228
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '  SADABS'
_exptl_crystal_colour            yellow-orange
_exptl_crystal_density_diffrn    2.935
_exptl_crystal_description       plate
_exptl_crystal_F_000             1876
_exptl_crystal_size_max          0.345
_exptl_crystal_size_mid          0.336
_exptl_crystal_size_min          0.025
_refine_diff_density_max         2.514
_refine_diff_density_min         -2.321
_refine_ls_goodness_of_fit_all   0.994
_refine_ls_goodness_of_fit_obs   0.994
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     534
_refine_ls_number_reflns         11832
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.045
_refine_ls_R_factor_obs          0.045
_refine_ls_shift/esd_max         0.088
_refine_ls_shift/esd_mean        0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.071
_cod_data_source_file            b310790f.txt
_cod_data_source_block           '[NMe2(CH2Ph)2]_3_CH2Cl2'
_cod_database_code               7013630
_diffrn_reflns_number_total      30518
_diffrn_reflns_number_independent 11832
_total_number_of_frames          2450
_time_per_frame_seconds          20
_frame_width_degrees             0.30
_detector_sample_distance_cm     4.00
_conventional_r1_(i>2\s(i))      0.028
_refine_diff_density_esd         0.541