Crystallography Open Database

Information card for entry 4333735

Preview

Coordinates	4333735.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H146.4 Cl2 Fe12 N13 O40.7
Calculated formula	C92 H122 Cl2 Fe12 N13 O40.7
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	15.4735 ± 0.0002 Å
b	16.0289 ± 0.0002 Å
c	16.9333 ± 0.0003 Å
α	116.87 ± 0.001°
β	105.874 ± 0.001°
γ	98.732 ± 0.001°
Cell volume	3412.82 ± 0.1 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0774
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1517
Weighted residual factors for all reflections included in the refinement	0.1695
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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.	4333735.cif
99539	2014-01-31	cif/ Adding structures of 4333735 via cif-deposit CGI script.	4333735.cif