Crystallography Open Database

Information card for entry 7224158

Preview

Coordinates	7224158.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H26 N2 O23 V6
Calculated formula	C8 H26 N2 O23 V6
SMILES	C1C2(C[O]3[V]456([O]1[V]178(=O)[O]9%10%114[V]4%12(O5)(O[V]3%11([O]8C2)(O[V]2%10(O7)([O]%12CC3(C[O]4[V]9(O1)([O]2C3)(O6)=O)[NH3+])=O)=O)=O)=O)[NH3+].O.O.O.O
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	10.381 ± 0.002 Å
b	12.311 ± 0.003 Å
c	9.6175 ± 0.0019 Å
α	90°
β	104.2 ± 0.03°
γ	90°
Cell volume	1191.6 ± 0.5 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0297
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0767
Weighted residual factors for all reflections included in the refinement	0.0776
Goodness-of-fit parameter for all reflections included in the refinement	1.128
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
185175 (current)	2016-08-07	cif/ Updating files of 7224157, 7224158 Original log message: Adding full bibliography for 7224157--7224158.cif.	7224158.cif
176237	2016-02-06	cif/ Adding structures of 7224157, 7224158 via cif-deposit CGI script.	7224158.cif