Reactivity of [{M(C6F5)2(μ-OH)}2]2-(M = Pd or Pt) toward Aromatic Amines and Malononitrile
Ruiz, José; Rodríguez, Venancio; López, Gregorio; Casabó, Jaume; Molins, Elies; Miravitlles, Carles; Organometallics 18 (1999) 1177–; doi:10.1021/om980508z

data_4077730
_publ_section_title
;
 Reactivity of [{M(C6F5)2(\m-OH)}2]2-(M = Pd or Pt) toward Aromatic Amines
 and Malononitrile
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1177
_journal_paper_doi               10.1021/om980508z
_journal_volume                  18
_journal_year                    1999
_chemical_formula_sum            'C62 H74 F20 N6 Pd2'
_chemical_formula_weight         1496.07
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                74.74(3)
_cell_angle_beta                 80.27(3)
_cell_angle_gamma                89.91(3)
_cell_formula_units_Z            4
_cell_length_a                   10.652(4)
_cell_length_b                   22.162(7)
_cell_length_c                   30.109(10)
_cell_measurement_temperature    294(2)
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_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      294(2)
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
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_diffrn_reflns_limit_h_min       0
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_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -36
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_refine_ls_goodness_of_fit_obs   1.101
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_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0749P)^2^+11.6331P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_data_source_file            om980508z.cif
_cod_data_source_block           um6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'PSI scan' changed to
'psi-scan' 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 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0749P)^2^+11.6331P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0749P)^2^+11.6331P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        6751.7(33)
_cod_database_code               4077730