Crystallography Open Database

Information card for entry 4516440

Preview

Coordinates	4516440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H48 Cu6 I11 K Mn2 N12
Calculated formula	C60 H48 Cu6 I11 K0.999 Mn2 N12
Title of publication	Low-Dimensional Hybrid Cuprous Halides Directed by Transition Metal Complex: Syntheses, Crystal Structures, and Photocatalytic Properties
Authors of publication	Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	11
Pages of publication	5416
a	14.2597 ± 0.0007 Å
b	14.2597 ± 0.0007 Å
c	31.7534 ± 0.0016 Å
α	90°
β	90°
γ	120°
Cell volume	5591.7 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0405
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.0958
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
231319 (current)	2019-11-22	cif/ Adding structures of 4516440 via cif-deposit CGI script.	4516440.cif