Tuning the metal‒metal separation in pyrazolate-based dinuclear complexes by the length of chelating side arms ‡
Meyer, Franc; Heinze, Katja; Nuber, Bernhard; Zsolnai, Laszlo; Journal of the Chemical Society, Dalton Transactions  (1998) 207–; doi:10.1039/a705545e

data_7028027
_publ_contact_author
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       Dr. Franc Meyer
       Anorganisch-Chemisches Institut
       Ruprecht-Karls Universitaet Heidelberg
       Im Neuenheimer Feld 270
       69120 Heidelberg
       Bundesrepublik Deutschland
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_publ_section_title
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 Tuning the metal--metal separation in pyrazolate-based dinuclear
 complexes by the length of chelating side arms&#x200A;&#x2021;
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_journal_issue                   2
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              207
_journal_paper_doi               10.1039/a705545e
_journal_year                    1998
_chemical_formula_sum            'C80 H73 B2 Co2 N11 O'
_chemical_formula_weight         1343.97
_chemical_name_common            'compound 4'
_chemical_name_systematic
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 ?                                                               

                
;
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
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_cell_angle_gamma                90.00
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_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
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_diffrn_reflns_limit_k_min       0
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_diffrn_reflns_limit_l_min       -34
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_refine_ls_number_restraints     0
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'w=1/[\s^2^(Fo^2^)+(0.1461P)^2^+34.3416P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.2932
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' tag value 'monoklin' was replaced with
'monoclinic' value as specified in the replacement file
'/home/robertas/cod-tools/perl-scripts/inputs/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.1461P)^2^+34.3416P] 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^)+(0.1461P)^2^+34.3416P] 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        7738.2(28)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7028027