Crystallography Open Database

Information card for entry 7231753

Preview

Coordinates	7231753.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H12 Cu2 N9 S3
Calculated formula	C23 H12 Cu2 N9 S3
Title of publication	A bicontinuous donor‒acceptor hybrid heterostructure based on coordination and cation‒π interactions
Authors of publication	Li, Meng-Hua; You, Ming-Hua; Zhang, Jiang-Yan; Xiao, Wang-Chuan; Lin, Mei-Jin
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	48
Pages of publication	7795
a	9.5199 ± 0.0007 Å
b	10.2672 ± 0.0006 Å
c	12.5352 ± 0.0008 Å
α	84.614 ± 0.005°
β	70.854 ± 0.006°
γ	80.244 ± 0.005°
Cell volume	1139.75 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0564
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1563
Weighted residual factors for all reflections included in the refinement	0.1664
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation probe	x-ray
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
229049 (current)	2019-11-17	cif/ Updating files of 7231753 Original log message: Adding full bibliography for 7231753.cif.	7231753.cif
211754	2018-11-02	cif/ Adding structures of 7231753 via cif-deposit CGI script.	7231753.cif