Crystallography Open Database

Information card for entry 1549681

Preview

Coordinates	1549681.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H108 Cd4 N2 O11 S8
Calculated formula	C88 H88 Cd4 N2 O11 S8
Title of publication	Assembly of thiacalix[4]arene-supported high-nuclearity Cd24 cluster with enhanced photocatalytic activity.
Authors of publication	Shi, Cheng; Zhang, Min; Hang, Xinxin; Bi, Yanfeng; Huang, Liangliang; Zhou, Kun; Xu, Zhenhe; Zheng, Zhiping
Journal of publication	Nanoscale
Year of publication	2018
Journal volume	10
Journal issue	30
Pages of publication	14448 - 14454
a	32.799 ± 0.0015 Å
b	19.0653 ± 0.0008 Å
c	31.1251 ± 0.0013 Å
α	90°
β	114.228 ± 0.002°
γ	90°
Cell volume	17748.9 ± 1.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0609
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1308
Weighted residual factors for all reflections included in the refinement	0.1423
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
230155 (current)	2019-11-17	cif/ Updating files of 1549680, 1549681 Original log message: Adding full bibliography for 1549680--1549681.cif.	1549681.cif
209023	2018-07-14	cif/ Adding structures of 1549680, 1549681 via cif-deposit CGI script.	1549681.cif