Bis(hydrosulfido)-bridged dinuclear rhodium(I) complexes as a platform for the synthesis of trinuclear sulfido aggregates with the core [MRh2(μ3-S2)] (M = Rh, Ir, Pd, Pt, Ru).
Castarlenas, Ricardo; Cunchillos, Carmen; Gómez-Bautista, Daniel; Jiménez, M Victoria; Lahoz, Fernando J.; Miranda, José R; Oro, Luis A.; Pérez-Torrente, Jesús J; Dalton transactions (Cambridge, England : 2003) 42 (2013) 3471–3481; doi:10.1039/c2dt32680a

data_7022448
_publ_section_title
;
 Bis(hydrosulfido)-bridged dinuclear rhodium(I) complexes as a platform
 for the synthesis of trinuclear sulfido aggregates with the core
 [MRh2(\m3-S2)] (M = Rh, Ir, Pd, Pt, Ru).
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3471
_journal_page_last               3481
_journal_paper_doi               10.1039/c2dt32680a
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C46 H42 O2 P2 Pt Rh2 S2, C H2 Cl2'
_chemical_formula_sum            'C47 H44 Cl2 O2 P2 Pt Rh2 S2'
_chemical_formula_weight         1238.74
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 103.623(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.5720(10)
_cell_length_b                   9.4620(5)
_cell_length_c                   21.3660(10)
_cell_measurement_reflns_used    23463
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.92
_cell_measurement_theta_min      2.73
_cell_volume                     4434.9(4)
_computing_cell_refinement       'HKL2000(Z. Otwinowski and W. Minor,1997)'
_computing_data_collection       'DENZO (Z. Otwinowski)'
_computing_data_reduction        'HKL2000(Z. Otwinowski and W. Minor,1997)'
_computing_molecular_graphics    'ORTEP (L. Farrugia, 1997) '
_computing_publication_material  'WingX (L. Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'Single-axis HUBER diffractometer'
_diffrn_measurement_method       'fi scans'
_diffrn_radiation_monochromator  'A Si111 double-crystal'
_diffrn_radiation_source         synchrotron
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.73820
_diffrn_reflns_av_R_equivalents  0.0773
_diffrn_reflns_av_sigmaI/netI    0.0797
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            23463
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         28.16
_diffrn_reflns_theta_min         2.73
_exptl_absorpt_coefficient_mu    4.430
_exptl_absorpt_correction_T_max  1.391
_exptl_absorpt_correction_T_min  0.892
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
R. H. Blessing, Acta Crystallogr., Sect A 1995, 51, 33-38.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.855
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2424
_exptl_crystal_size_max          0.078
_exptl_crystal_size_mid          0.0325
_exptl_crystal_size_min          0.0195
_refine_diff_density_max         1.400
_refine_diff_density_min         -2.055
_refine_diff_density_rms         0.202
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     276
_refine_ls_number_reflns         4729
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0335
_refine_ls_R_factor_gt           0.0332
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0185P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0819
_refine_ls_wR_factor_ref         0.0821
_reflns_number_gt                4649
_reflns_number_total             4729
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt32680a.txt
_cod_data_source_block           compnd_9
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_Hall     'C -2yc'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7022448