Crystallography Open Database

Information card for entry 1508018

Preview

Coordinates	1508018.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	#4169-C66Cl10/4
Formula	C285 H23 Cl40
Calculated formula	C285 H23 Cl40
Title of publication	Chlorofullerenes featuring triple sequentially fused pentagons.
Authors of publication	Tan, Yuan-Zhi; Li, Jia; Zhu, Feng; Han, Xiao; Jiang, Wen-Sheng; Huang, Rong-Bin; Zheng, Zhiping; Qian, Zhuo-Zhen; Chen, Rui-Ting; Liao, Zhao-Jiang; Xie, Su-Yuan; Lu, Xin; Zheng, Lan-Sun
Journal of publication	Nature chemistry
Year of publication	2010
Journal volume	2
Journal issue	4
Pages of publication	269 - 273
a	12.3298 ± 0.0003 Å
b	18.7616 ± 0.0005 Å
c	19.4956 ± 0.0005 Å
α	96.637 ± 0.002°
β	100.007 ± 0.002°
γ	100.282 ± 0.002°
Cell volume	4319.6 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0842
Residual factor for significantly intense reflections	0.0705
Weighted residual factors for significantly intense reflections	0.1518
Weighted residual factors for all reflections included in the refinement	0.1558
Goodness-of-fit parameter for all reflections included in the refinement	1.255
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1508018.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508018.cif
62564	2012-07-09	cif/ Adding structures of 1508018 via cif-deposit CGI script.	1508018.cif