Crystallography Open Database

Information card for entry 1550539

Preview

Coordinates	1550539.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H6 Cl6
Calculated formula	C72 H6 Cl6
SMILES	Clc1c(Cl)cc(Cl)cc1.Clc1c(Cl)cc(Cl)cc1.c12c3c4c5c6c7c8c4c4c9c8c8c%10c%11c%12c%13c%14c%15c%16c%17c%18c(c%19c3c4c(c%19c%14%17)c%13c9%11)c1c1c3c(c4c6c6c7c8c7c8c9c%11c(c%12c%15c%11c%11c%16c(c%12c%11c9c(c68)c4c3%12)c%181)c%107)c25
Title of publication	Two-dimensional C<sub>60</sub> nano-meshes via crystal transformation.
Authors of publication	Lei, Yilong; Wang, Shaoyan; Lai, Zhuangchai; Yao, Xin; Zhao, Yanli; Zhang, Hua; Chen, Hongyu
Journal of publication	Nanoscale
Year of publication	2019
Journal volume	11
Journal issue	18
Pages of publication	8692 - 8698
a	9.8783 ± 0.0011 Å
b	9.9409 ± 0.0011 Å
c	12.3344 ± 0.0014 Å
α	70.99 ± 0.02°
β	75.17 ± 0.02°
γ	63.05 ± 0.02°
Cell volume	1012.3 ± 0.3 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	0.0695
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.1068
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
224666 (current)	2019-11-08	cif/ Updating files of 1550539 Original log message: Adding full bibliography for 1550539.cif.	1550539.cif
213419	2019-02-01	cif/ Adding structures of 1550539 via cif-deposit CGI script.	1550539.cif