Crystallography Open Database

Information card for entry 7239070

Preview

Coordinates	7239070.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H50 N8 Ni S4
Calculated formula	C48 H50 N8 Ni 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	14.8356 ± 0.0002 Å
b	10.8116 ± 0.0002 Å
c	13.3564 ± 0.0002 Å
α	90°
β	93.711 ± 0.001°
γ	90°
Cell volume	2137.83 ± 0.06 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 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 all reflections	0.0267
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0701
Weighted residual factors for all reflections included in the refinement	0.0707
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	7239070.cif