Crystallography Open Database

Information card for entry 1561476

Preview

Coordinates	1561476.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C156 H297 N11 O106 P4 S0 V24
Calculated formula	C124 H200 N4 O96 P4 V24
Title of publication	How to not build a cage: endohedral functionalization of polyoxometalate-based metal-organic polyhedra.
Authors of publication	Guo, Ji; Chang, Qing; Liu, Zhiwei; Wang, Yangming; Liu, Chuanhong; Wang, Mou; Huang, Danmeng; Chen, Guanying; Zhao, Hongmei; Wang, Wei; Fang, Xikui
Journal of publication	Chemical science
Year of publication	2021
Journal volume	12
Journal issue	21
Pages of publication	7361 - 7368
a	27.776 ± 0.003 Å
b	32.56 ± 0.003 Å
c	36.61 ± 0.003 Å
α	90°
β	105.89 ± 0.003°
γ	90°
Cell volume	31844 ± 5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0906
Residual factor for significantly intense reflections	0.0721
Weighted residual factors for significantly intense reflections	0.2
Weighted residual factors for all reflections included in the refinement	0.2115
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
268619 (current)	2021-09-06	cif/ Updating files of 1561473, 1561474, 1561475, 1561476 Original log message: Adding full bibliography for 1561473--1561476.cif.	1561476.cif
263565	2021-04-04	cif/ Adding structures of 1561473, 1561474, 1561475, 1561476 via cif-deposit CGI script.	1561476.cif