Preparation and characterization of rhodium(iii), iridium(iii) and ruthenium(ii) bearing 1,3- or 1,4-dithianesElectronic supplementary information (ESI) available: Crystal data and ORTEP figures for 2b, 2ab and 3c and further experimental details. See http://www.rsc.org/suppdata/dt/b3/b306496d/
Yamamoto, Yasuhiro; Sakamoto, Shinobu; Ohki, Yuka; Usuzawa, Akihiro; Fujita, Masanori; Mochida, Tomoyuki; Dalton Transactions  (2003) 3534–; doi:10.1039/b306496d

data_7013336
_publ_section_title
;
 Preparation and characterization of rhodium(iii), iridium(iii) and
 ruthenium(ii) bearing 1,3- or 1,4-dithianesElectronic supplementary
 information (ESI) available: Crystal data and ORTEP figures for 2b,
 2ab and 3c and further experimental details. See
 http://www.rsc.org/suppdata/dt/b3/b306496d/
;
_journal_issue                   18
_journal_name_full               'Dalton Transactions'
_journal_page_first              3534
_journal_paper_doi               10.1039/b306496d
_journal_year                    2003
_chemical_formula_sum            'C26 H42 Cl8 Ir Rh S2'
_chemical_formula_weight         997.49
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_creation_date             'Fri Nov 23 15:24:36 2001'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 115.36(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.086(3)
_cell_length_b                   9.253(3)
_cell_length_c                   15.513(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    300.2
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      12.3
_cell_volume                     1827.1(8)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9988
_diffrn_measured_fraction_theta_max 0.9988
_diffrn_measurement_device_type  'Rigaku AFC5S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.021
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            3584
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_standards_decay_%        24.99
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.814
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_correction_T_min  0.437
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.813
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.150
_refine_diff_density_max         4.13
_refine_diff_density_min         -2.36
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Crys. A39, 876-881.  0 Friedel Pairs'
_refine_ls_abs_structure_Flack   -0.1(1)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.244
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     303
_refine_ls_number_reflns         2794
_refine_ls_R_factor_gt           0.0589
_refine_ls_shift/su_max          0.0483
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.10000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1491
_reflns_number_gt                2794
_reflns_number_total             3423
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b306496d.txt
_cod_data_source_block           afc5s.xtl_master_file_e
_cod_original_cell_volume        1827.1(6)
_cod_original_formula_sum        'C26 H42 Cl8 Ir S2 Rh '
_cod_database_code               7013336