Crystallography Open Database

Information card for entry 7714515

Preview

Coordinates	7714515.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H99 K2 N40 O63.5 V8
Calculated formula	C40 H59 K2 N40 O43.5 V8
Title of publication	Asymmetric dinuclear, hexanuclear and octanuclear oxovanadium citrates with triazolates: novel mixed-ligands and mixed-valence complexes.
Authors of publication	Xie, Zhen-Lang; Zhou, Zhao-Hui
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	53
Journal issue	1
Pages of publication	186 - 195
a	20.3045 ± 0.0001 Å
b	18.4546 ± 0.0002 Å
c	26.9082 ± 0.0002 Å
α	90°
β	93.638 ± 0.001°
γ	90°
Cell volume	10062.5 ± 0.14 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0557
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1365
Weighted residual factors for all reflections included in the refinement	0.1424
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
289469 (current)	2024-02-04	cif/ Updating files of 7714512, 7714513, 7714514, 7714515, 7714516 Original log message: Adding full bibliography for 7714512--7714516.cif.	7714515.cif
287696	2023-11-21	cif/ Adding structures of 7714512, 7714513, 7714514, 7714515, 7714516 via cif-deposit CGI script.	7714515.cif