Perfect complementarity in the fitting of two homochiral heterodonor ligands around a nickel(II) centre: an ‘intramolecular embrace’
Bray, Katharine L.; Butts, Craig P.; Lloyd-Jones, Guy C.; Murray, Martin; Journal of the Chemical Society, Dalton Transactions  (1998) 1421–; doi:10.1039/a801170b

data_7027905
_publ_section_title
;
 Perfect complementarity in the fitting of two homochiral heterodonor
 ligands around a nickel(II) centre: an &#x2018;intramolecular
 embrace&#x2019;
;
_journal_issue                   9
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1421
_journal_paper_doi               10.1039/a801170b
_journal_year                    1998
_chemical_formula_sum            'C52 H52 F6 N2 Ni O9 P2 S2'
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_chemical_name_systematic
; 
 ? 
;
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_computing_structure_solution    'SHELXTL (Siemens, 1995a)'
_diffrn_ambient_temperature      173(2)
_diffrn_measurement_device       'Siemens SMART Area Detector'
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_exptl_absorpt_correction_T_max  27.5
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_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Orange-Red
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'w=1/[\s^2^(Fo^2^)+(0.0349P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_data_source_file            b801170sup1.cif
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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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0349P)^2^+0.0000P] 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^)+(0.0349P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)2(1)2(1)
_cod_database_code               7027905