Crystallography Open Database

Information card for entry 4001097

Preview

Coordinates	4001097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H25 Fe N
Calculated formula	C30 H25 Fe N
SMILES	[Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[c]81/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1
Title of publication	Electrochemical Deposition of Bis(N,N′-diphenylaminoaryl) Substituted Ferrocenes, and Their Application as a Hole-Injection Layer on Polymeric Light-Emitting Diodes
Authors of publication	Chiang, Chao Cheng; Chen, Hong-Chun; Lee, Chin-sheng; Leung, Man-kit; Lin, Kun-Rung; Hsieh, Kuo-Huang
Journal of publication	Chemistry of Materials
Year of publication	2008
Journal volume	20
Journal issue	2
Pages of publication	540
a	7.9522 ± 0.0016 Å
b	10.827 ± 0.002 Å
c	14.369 ± 0.003 Å
α	109.02 ± 0.03°
β	91.8 ± 0.03°
γ	103.57 ± 0.03°
Cell volume	1129.1 ± 0.5 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.14
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1081
Weighted residual factors for all reflections included in the refinement	0.1384
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001097.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001097.cif
41847	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4001097 via cif-deposit CGI script.	4001097.cif