Crystallography Open Database

Information card for entry 7006408

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Coordinates	7006408.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis[2,6-di(pyrazol-1-yl)pyridine]iron(II) bis[di(dicarbollido)cobalt(III)] nitromethane solvate (1/0.75)
Formula	C30.75 H64.25 B36 Co2 Fe N10.75 O1.5
Calculated formula	C30.75 H64.25 B36 Co2 Fe N10.75 O1.5
Title of publication	Structural diversity in iron(II) complexes of 2,6-di(pyrazol-1-yl)pyridine and 2,6-di(3-methylpyrazol-1-yl)pyridine.
Authors of publication	Elhaïk, Jérôme; Kilner, Colin A.; Halcrow, Malcolm A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	6
Pages of publication	823 - 830
a	37.3516 ± 0.0019 Å
b	10.584 ± 0.0006 Å
c	29.5118 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	11666.9 ± 1.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0973
Residual factor for significantly intense reflections	0.0765
Weighted residual factors for significantly intense reflections	0.2015
Weighted residual factors for all reflections included in the refinement	0.2141
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 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.	7006408.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006408.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006408.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7006408.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7006408.cif