Crystallography Open Database

Information card for entry 7230002

Preview

Coordinates	7230002.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H16 Cu6 I4 N20
Calculated formula	C12 H16 Cu6 I4 N20
Title of publication	Syntheses of copper‒iodine cluster-based frameworks for photocatalytic degradation of methylene blue
Authors of publication	Liu, Juan; Tang, Yu-Huan; Wang, Fei; Zhang, Jian
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	9
Pages of publication	1232
a	9.0012 ± 0.0006 Å
b	14.3269 ± 0.001 Å
c	12.5315 ± 0.0007 Å
α	90°
β	94.3 ± 0.006°
γ	90°
Cell volume	1611.5 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0612
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1304
Weighted residual factors for all reflections included in the refinement	0.1364
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
229079 (current)	2019-11-17	cif/ Updating files of 7230001, 7230002 Original log message: Adding full bibliography for 7230001--7230002.cif.	7230002.cif
205423	2018-01-20	cif/ Adding structures of 7230001, 7230002 via cif-deposit CGI script.	7230002.cif