Crystallography Open Database

Information card for entry 1561475

Preview

Coordinates	1561475.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C309 H610 Cl N23 O245 P8 V56
Calculated formula	C232 H376 Cl N5 O228 P8 V56
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	39.096 ± 0.007 Å
b	26.059 ± 0.005 Å
c	29.242 ± 0.005 Å
α	90°
β	113.642 ± 0.004°
γ	90°
Cell volume	27291 ± 9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.2048
Residual factor for significantly intense reflections	0.133
Weighted residual factors for significantly intense reflections	0.3307
Weighted residual factors for all reflections included in the refinement	0.3952
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
268619 (current)	2021-09-06	cif/ Updating files of 1561473, 1561474, 1561475, 1561476 Original log message: Adding full bibliography for 1561473--1561476.cif.	1561475.cif
263565	2021-04-04	cif/ Adding structures of 1561473, 1561474, 1561475, 1561476 via cif-deposit CGI script.	1561475.cif