Crystallography Open Database

Information card for entry 7239069

Preview

Coordinates	7239069.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H50 N8 Ni O2 S4
Calculated formula	C46 H50 N8 Ni O2 S4
Title of publication	Importance of alkyl chain-length on the self-assembly of new Ni(qdt)2 complexes and charge transport properties
Authors of publication	Yang, Xiong-Bo; Zhou, Li; Huang, Long-Biao; Xu, Jia-Ju; Zhou, Ye; Han, Su-Ting; Xu, Zong-Xiang; Lau, Victor C. Y.; Hon-Wah Lam, Micheal; Wong, Wai-Yeung; Roy, V. A. L.
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	30
Pages of publication	12075
a	8.1895 ± 0.0002 Å
b	8.5987 ± 0.0003 Å
c	16.7988 ± 0.0005 Å
α	92.215 ± 0.002°
β	102.812 ± 0.002°
γ	105.961 ± 0.002°
Cell volume	1102.75 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0435
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1202
Weighted residual factors for all reflections included in the refinement	0.1217
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
244534 (current)	2019-11-28	cif/ Adding structures of 7239069, 7239070, 7239071 via cif-deposit CGI script.	7239069.cif