Correlation of spectroscopically determined ligand donor strength and nucleophilicity of substituted pyrazoles.
Bernhammer, Jan Christopher; Huynh, Han Vinh; Dalton transactions (Cambridge, England : 2003) 41 (2012) 8600–8608; doi:10.1039/c2dt30526g

data_7019508
_publ_section_title
;
 Correlation of spectroscopically determined ligand donor strength and
 nucleophilicity of substituted pyrazoles.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8600
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_journal_paper_doi               10.1039/c2dt30526g
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C25 H30 Br3 Cl3 N4 Pd'
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;
?
;
_space_group_IT_number           19
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_computing_cell_refinement       'Bruker SMART'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs, (Sheldrick 2001)'
_exptl_crystal_colour            Yellow
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0437P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_data_source_file            c2dt30526g.txt
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' 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_values 1891 2012-01-12 08:04:46Z andrius 

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 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        3152.3(18)
_cod_original_sg_symbol_H-M      P2(1)2(1)2(1)
_cod_database_code               7019508