Crystallography Open Database

Information card for entry 7027260

Preview

Coordinates	7027260.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H45 B2 F8 N5 Ni P2
Calculated formula	C24 H42 B2 F8 N5 Ni P2
Title of publication	Syntheses of new P‒N ligands containing an imidazolyl group and their co-ordination behaviors toward nickel(II), cobalt-(II) and -(III)
Authors of publication	Jalil, M. Abdul; Fujinami, Shuhei; Senda, Hitoshi; Nishikawa, Hiroaki
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	10
Pages of publication	1655
a	20.688 ± 0.008 Å
b	9.975 ± 0.002 Å
c	17.1 ± 0.004 Å
α	90°
β	104.7 ± 0.04°
γ	90°
Cell volume	3413.3 ± 1.8 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.0715
Goodness-of-fit parameter for significantly intense reflections	1.194
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7027260.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	7027260.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	7027260.cif
95208	2014-01-28	cif/ Adding structures of 7027258, 7027259, 7027260 via cif-deposit CGI script.	7027260.cif