Crystallography Open Database

Information card for entry 1557738

Preview

Coordinates	1557738.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H806 Mo132 N48 O676 S3
Calculated formula	C120 H150 Mo132 O572.1
Title of publication	Embedding alkenes within an icosahedral inorganic fullerene {(NH4)42[Mo132O372(L)30(H2O)72]} for trapping volatile organics
Authors of publication	Pow, Robert W.; Xuan, Weimin; Long, De-Liang; Bell, Nicola L.; Cronin, Leroy
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	9
Pages of publication	2388 - 2393
a	32.3898 ± 0.0003 Å
b	32.3898 ± 0.0003 Å
c	72.8225 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	66162.6 ± 1.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0698
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.2086
Weighted residual factors for all reflections included in the refinement	0.2176
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257371 (current)	2020-10-06	cif/ Updating files of 1557737, 1557738, 1557739 Original log message: Adding full bibliography for 1557737--1557739.cif.	1557738.cif
250130	2020-04-04	cif/ Adding structures of 1557737, 1557738, 1557739 via cif-deposit CGI script.	1557738.cif