Formation of Trinuclear Palladium Orthometalated Complexes with Unprecedented Asymmetrical (μ3-S)(μ3-X) Bridges (X = OH, SR, O2CR) from μ2-Hydroxo Dimeric Complexes and CS2
Pablo Espinet; Celia Hernández; José M. Martín-Alvarez; Jesús A. Miguel; Inorganic Chemistry 43 (2004) 843–845; doi:10.1021/ic0351085

data_4310567
_publ_contact_author
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 Jose M. Martin-Alvarez
 Departamento de Quimica Inorganica
 Facultad de Ciencias
 Universidad de Valladolid
 E47005
 Valladolid
 Spain
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_publ_contact_author_email       jmmartin@qi.uva.es
_publ_contact_author_fax         '+34 983 423013'
_publ_contact_author_phone       '+34 983 423232'
_publ_section_title
;
 Formation of Trinuclear Palladium Orthometalated Complexes with
 Unprecedented Asymmetrical (\m3-S)(\m3-X) Bridges (X = OH, SR, O2CR) from
 \m2-Hydroxo Dimeric Complexes and CS2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              843
_journal_page_last               845
_journal_paper_doi               10.1021/ic0351085
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C54 H59 N3 O8 Pd3 S'
_chemical_formula_weight         1229.30
_chemical_name_systematic
; 
 ? 
;
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_symmetry_cell_setting           triclinic
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
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_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
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_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_min       -14
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_diffrn_reflns_theta_max         23.36
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_exptl_absorpt_coefficient_mu    1.113
_exptl_absorpt_correction_T_max  1.000000
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_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            YELLOW
_exptl_crystal_density_diffrn    1.557
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       PRISM
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_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0445P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                4479
_reflns_number_total             7528
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0351085si20030919_020227.cif
_cod_data_source_block           ch110
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2622.0(19)
_cod_database_code               4310567