Reactivity towards nitriles, cyanamides, and carbodiimides of palladium complexes derived from benzyl alcohol. Synthesis of a mixed Pd2Ag complex.
Fernández-Rodríguez, María-José; Martínez-Viviente, Eloísa; Vicente, José; Jones, Peter G.; Dalton transactions (Cambridge, England : 2003) 45 (2015) 820–830; doi:10.1039/c5dt03597j

data_7037781
_publ_section_title
;
 Reactivity towards nitriles, cyanamides, and carbodiimides of palladium
 complexes derived from benzyl alcohol. Synthesis of a mixed Pd2Ag
 complex.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              820
_journal_page_last               830
_journal_paper_doi               10.1039/c5dt03597j
_journal_volume                  45
_journal_year                    2015
_chemical_formula_sum            'C69.5 H63.5 Ag Cl7.5 F3 N8 O5.5 Pd2 S'
_chemical_formula_weight         1774.39
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_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
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_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-09-14 deposited with the CCDC.
2015-12-03 downloaded from the CCDC.
;
_cell_angle_alpha                84.739(5)
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_cell_length_b                   17.7080(10)
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_cell_measurement_temperature    103(2)
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_computing_cell_refinement
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.40 (release 27-04-2009 CrysAlis171 .NET)
(compiled Apr 27 2009,10:20:11)
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_computing_data_collection
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.40 (release 27-04-2009 CrysAlis171 .NET)
(compiled Apr 27 2009,10:20:11)
;
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.40 (release 27-04-2009 CrysAlis171 .NET)
(compiled Apr 27 2009,10:20:11)
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_computing_molecular_graphics    'Siemens XP'
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      103(2)
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_diffrn_measured_fraction_theta_full 0.999
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_diffrn_measurement_device_type  'Xcalibur, Atlas, Nova'
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_diffrn_radiation_monochromator  mirror
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_diffrn_reflns_av_R_equivalents  0.0837
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_diffrn_reflns_limit_h_min       -16
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_diffrn_reflns_limit_k_min       -19
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_diffrn_reflns_theta_full        72.50
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CrysAlisPro, Oxford Diffraction Ltd.,
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(compiled Apr 27 2009,10:20:11)
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_exptl_crystal_colour            yellow
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_exptl_crystal_description       block
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_refine_ls_number_reflns         30575
_refine_ls_number_restraints     943
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_refine_ls_shift/su_max          0.054
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1077P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1841
_reflns_number_gt                21160
_reflns_number_total             30575
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt03597j2.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 
;
_cod_original_cell_volume        7376.9(7)
_cod_database_code               7037781