Crystallography Open Database

Information card for entry 7063585

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Coordinates	7063585.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H96 La12 O232 V46
Calculated formula	La12 O184 V46
Title of publication	Breaking Boundaries: Novel Tridecavanadate Polyoxometalate with a Unique Sixfold Tetradentate Coordination Capacity for Lanthanum(III) and a Twofold Bidentate Decavanadate Ligand in a Single Compound
Authors of publication	Somasundaram, Janaki Devi; Kabzan, Henrich; Gyepes, Róbert; Krivosudský, Lukáš
Journal of publication	New Journal of Chemistry
Year of publication	2025
a	18.7636 ± 0.0006 Å
b	24.2176 ± 0.0008 Å
c	23.0563 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	10477 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0902
Residual factor for significantly intense reflections	0.0691
Weighted residual factors for significantly intense reflections	0.1516
Weighted residual factors for all reflections included in the refinement	0.1632
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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