Crystallography Open Database

Information card for entry 7006392

Preview

Coordinates	7006392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H42 B2 F8 Fe N3 P3
Calculated formula	C21 H42 B2 F8 Fe N3 P3
Title of publication	Iron complexes of facially capping triphosphorus macrocycles.
Authors of publication	Edwards, Peter G.; Malik, K. M. Abdul; Ooi, Li-ling; Price, Andrew J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	3
Pages of publication	433 - 441
a	10.296 ± 0.002 Å
b	15.901 ± 0.003 Å
c	18.784 ± 0.004 Å
α	90°
β	92.23 ± 0.03°
γ	90°
Cell volume	3072.9 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0905
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1035
Weighted residual factors for all reflections included in the refinement	0.1094
Goodness-of-fit parameter for all reflections included in the refinement	0.929
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179767 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/63.	7006392.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006392.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006392.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7006392.cif