Crystallography Open Database

Information card for entry 4333734

Preview

Coordinates	4333734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94.4 H159.8 Fe10 N10.2 O41.6
Calculated formula	C94.4 H126 Fe10 N10.2 O41.6
Title of publication	2-Pyrrolyloximes in High-Nuclearity Transition-Metal Cluster Chemistry: Fe10 and Fe12
Authors of publication	Evangelia S. Koumousi; Anastasia Routzomani; Tu N. Nguyen; Dimosthenis P. Giannopoulos; Catherine P. Raptopoulou; Vassilis Psycharis; George Christou; Theocharis C. Stamatatos
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	1176 - 1178
a	13.5678 ± 0.0003 Å
b	15.6628 ± 0.0003 Å
c	18.633 ± 0.0003 Å
α	105.195 ± 0.001°
β	92.884 ± 0.001°
γ	113.185 ± 0.001°
Cell volume	3459.66 ± 0.12 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1326
Residual factor for significantly intense reflections	0.0934
Weighted residual factors for significantly intense reflections	0.2449
Weighted residual factors for all reflections included in the refinement	0.2966
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4333734.cif
99538	2014-01-31	cif/ Adding structures of 4333734 via cif-deposit CGI script.	4333734.cif