Crystallography Open Database

Information card for entry 7224157

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Structure parameters

Formula	C56 H100 N4 O21 V6
Calculated formula	C56 H100 N4 O21 V6
Title of publication	Facile synthesis of an organically-derivatized hexavanadate containing the remote amino group, TBA2[V6O13{(OCH2)3CNH2}2]
Authors of publication	Bayaguud, Aruuhan; Chen, Kun; Wei, Yongge
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	22
Pages of publication	4042
a	11.598 ± 0.002 Å
b	19.518 ± 0.004 Å
c	15.301 ± 0.003 Å
α	90°
β	91.47 ± 0.03°
γ	90°
Cell volume	3462.5 ± 1.2 Å³
Cell temperature	153.15 K
Ambient diffraction temperature	153.15 K
Number of distinct elements	5
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	0.0475
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.101
Weighted residual factors for all reflections included in the refinement	0.104
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7224157.cif
185175	2016-08-07	cif/ Updating files of 7224157, 7224158 Original log message: Adding full bibliography for 7224157--7224158.cif.	7224157.cif
176237	2016-02-06	cif/ Adding structures of 7224157, 7224158 via cif-deposit CGI script.	7224157.cif