Dinuclear NHC-palladium complexes containing phosphine spacers: synthesis, X-ray structures and their catalytic activities towards the Hiyama coupling reaction.
Yang, Jin; Li, Pinhua; Zhang, Yicheng; Wang, Lei; Dalton transactions (Cambridge, England : 2003) 43 (2014) 7166–7175; doi:10.1039/c4dt00180j

data_7029785
_publ_section_title
;
 Dinuclear NHC-palladium complexes containing phosphine spacers:
 synthesis, X-ray structures and their catalytic activities towards the
 Hiyama coupling reaction.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7166
_journal_page_last               7175
_journal_paper_doi               10.1039/c4dt00180j
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C80 H96 Cl4 N4 P2 Pd2, 2(C H2 Cl2)'
_chemical_formula_sum            'C82 H100 Cl8 N4 P2 Pd2'
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_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
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_computing_cell_refinement       'Bruker SMART'
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_computing_molecular_graphics    'Bruker SHELXTL'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.985
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_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.312
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_refine_ls_R_factor_all          0.1381
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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^)+(0.0485P)^2^+58.7681P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2367
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_reflns_number_gt                10500
_reflns_number_total             14904
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt00180j2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for
 ./tmp-cod-update-bibliographies-12899/cifs/7029785.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7029785