Crystallography Open Database

Information card for entry 4309785

Preview

Coordinates	4309785.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 Fe N2
Calculated formula	C22 H18 Fe N2
SMILES	[Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[c]1([cH]5[cH]6[cH]7[cH]81)c1cccc(N=Nc2ccccc2)c1
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	11.157 ± 0.011 Å
b	7.528 ± 0.007 Å
c	20.34 ± 0.02 Å
α	90°
β	96.805 ± 0.012°
γ	90°
Cell volume	1696 ± 3 Å³
Cell temperature	113 ± 2 K
Number of distinct elements	4
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	0.0473
Weighted residual factors for all reflections included in the refinement	0.0904
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179135 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/97.	4309785.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309785.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309785.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).	4309785.cif