Crystallography Open Database

Information card for entry 7126781

Preview

Coordinates	7126781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H60 O18 V6
Calculated formula	C24 H60 O18 V6
Title of publication	Mechanistic insights into polyoxometalate self-assembly in organic solvent: conversion of a cyclic polyoxovanadate-ethoxide to its Lindqvist congener.
Authors of publication	Meyer, Rachel L.; Love, Robert; Brennessel, William W.; Matson, Ellen M.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	61
Pages of publication	8607 - 8610
a	16.3679 ± 0.0001 Å
b	16.3679 ± 0.0001 Å
c	16.3679 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	4385.09 ± 0.05 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	4
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0306
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0797
Weighted residual factors for all reflections included in the refinement	0.0807
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
254930 (current)	2020-08-06	cif/ Updating files of 7126781 Original log message: Adding full bibliography for 7126781.cif.	7126781.cif
253504	2020-06-27	cif/ Adding structures of 7126781 via cif-deposit CGI script.	7126781.cif