Crystallography Open Database

Information card for entry 4309787

Preview

Coordinates	4309787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 Fe N2 O
Calculated formula	C22 H18 Fe N2 O
SMILES	[Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[c]1([cH]5[cH]6[cH]7[cH]81)c1cc(N=Nc2ccc(O)cc2)ccc1
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	25.55 ± 0.02 Å
b	11.318 ± 0.007 Å
c	5.848 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1691 ± 2 Å³
Cell temperature	113 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for significantly intense reflections	0.041
Weighted residual factors for all reflections included in the refinement	0.092
Goodness-of-fit parameter for all reflections included in the refinement	1
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
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.	4309787.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309787.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309787.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).	4309787.cif