Crystallography Open Database

Information card for entry 4309786

Preview

Coordinates	4309786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H17 Cl Fe N2
Calculated formula	C22 H17 Cl Fe N2
SMILES	[Fe]12345678([cH]9[c]1([cH]2[cH]3[cH]49)c1cc(N=Nc2ccccc2)c(Cl)cc1)[cH]1[cH]5[cH]6[cH]7[cH]18
Title of publication	Photon-, Electron-, and Proton-Induced Isomerization Behavior of Ferrocenylazobenzenes
Authors of publication	Aiko Sakamoto; Akira Hirooka; Kosuke Namiki; Masato Kurihara; Masaki Murata; Manabu Sugimoto; Hiroshi Nishihara
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	7547 - 7558
a	10.61 ± 0.01 Å
b	7.825 ± 0.01 Å
c	21.57 ± 0.03 Å
α	90°
β	92.808 ± 0.008°
γ	90°
Cell volume	1789 ± 4 Å³
Cell temperature	113 K
Number of distinct elements	5
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	0.0416
Weighted residual factors for all reflections included in the refinement	0.0988
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
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.	4309786.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309786.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309786.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309786.cif