Crystallography Open Database

Information card for entry 1566332

Preview

Coordinates	1566332.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H146 Cr Mo6 N3 O32
Calculated formula	C68 H146 Cr Mo6 N3 O32
Title of publication	Versatile post-functionalisation strategy for the formation of modular organic-inorganic polyoxometalate hybrids.
Authors of publication	Salazar Marcano, David E.; Moussawi, Mhamad Aly; Anyushin, Alexander V.; Lentink, Sarah; Van Meervelt, Luc; Ivanović-Burmazović, Ivana; Parac-Vogt, Tatjana N
Journal of publication	Chemical science
Year of publication	2022
Journal volume	13
Journal issue	10
Pages of publication	2891 - 2899
a	27.8416 ± 0.0011 Å
b	13.6571 ± 0.0005 Å
c	25.0139 ± 0.0008 Å
α	90°
β	92.128 ± 0.003°
γ	90°
Cell volume	9504.6 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1172
Residual factor for significantly intense reflections	0.085
Weighted residual factors for significantly intense reflections	0.165
Weighted residual factors for all reflections included in the refinement	0.1847
Goodness-of-fit parameter for all reflections included in the refinement	1.169
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
274963 (current)	2022-05-05	cif/ Updating files of 1566332, 1566333 Original log message: Adding full bibliography for 1566332--1566333.cif.	1566332.cif
272858	2022-02-09	cif/ Adding structures of 1566332, 1566333 via cif-deposit CGI script.	1566332.cif