Subtle Ring-Constraint Effects on the Formation of Metallacycles. Cyclodimer versus Cyclotrimer of Bis(chloro)-1,4-bis(dimethyl-3 or 4-pyridylsilyl)benzenepalladium(II) Complexes
Young Mee Na; Tae Hwan Noh; In Sung Chun; Young-A Lee; Jongki Hong; Ok-Sang Jung; Inorganic Chemistry 47 (2008) 1391–1396; doi:10.1021/ic701489p

data_4304092
_publ_section_title
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Subtle Ring-Constraint Effects on the Formation of Metallacycles.
Cyclodimer versus Cyclotrimer of Bis(chloro)-1,4-bis(dimethyl-3 or
4-pyridylsilyl)benzenepalladium(II) Complexes
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_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1391
_journal_page_last               1396
_journal_paper_doi               10.1021/ic701489p
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C44 H60 Cl4 N4 O2 Pd2 Si4'
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_chemical_name_systematic
; 
 ? 
;
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_cell_measurement_temperature    173(2)
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_cell_volume                     1348.82(15)
_computing_cell_refinement       'Bruker SMART'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      173(2)
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_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
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_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7994
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.55
_exptl_absorpt_coefficient_mu    0.990
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    1.408
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0666P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1220
_refine_ls_wR_factor_ref         0.1354
_reflns_number_gt                3874
_reflns_number_total             5423
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic701489p-file001_1.cif
_cod_data_source_block           '[PdCl2(p-psb)]2'
_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 
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_cod_database_code               4304092