Crystallography Open Database

Information card for entry 4002861

Preview

Coordinates	4002861.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 Cu6 I7 Li N12 O8 P2
Calculated formula	C30 H30 Cu6 I7 Li0.9999 N12 O8 P2
Title of publication	Cation-Induced Strategy toward an Hourglass-Shaped Cu6I7‒ Cluster and Its Color-Tunable Luminescence
Authors of publication	Yu, Muxin; Chen, Lian; Jiang, Feilong; Zhou, Kang; Liu, Caiping; Sun, Cai; Li, Xingjun; Yang, Yan; Hong, Maochun
Journal of publication	Chemistry of Materials
Year of publication	2017
Journal volume	29
Journal issue	19
Pages of publication	8093
a	14.4114 ± 0.0005 Å
b	14.4114 ± 0.0005 Å
c	46.858 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	8428 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0509
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1157
Weighted residual factors for all reflections included in the refinement	0.1226
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
202662 (current)	2017-11-07	cif/ Updating files of 4002860, 4002861, 4002862, 4002863, 4002864, 4002865 Original log message: Adding full bibliography for 4002860--4002865.cif.	4002861.cif
201603	2017-10-04	cif/ Adding structures of 4002860, 4002861, 4002862, 4002863, 4002864, 4002865 via cif-deposit CGI script.	4002861.cif