Crystallography Open Database

Information card for entry 1549680

Preview

Coordinates	1549680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C288 H378 Cd24 Cl8 N16 O82 P6 S24
Calculated formula	C285 H306 Cd24 Cl8 N15 O81 P6 S24
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	22.4712 ± 0.0007 Å
b	22.4712 ± 0.0007 Å
c	62.0494 ± 0.0018 Å
α	90°
β	90°
γ	120°
Cell volume	27134.4 ± 1.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0557
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1381
Weighted residual factors for all reflections included in the refinement	0.1435
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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.	1549680.cif
209023	2018-07-14	cif/ Adding structures of 1549680, 1549681 via cif-deposit CGI script.	1549680.cif