Crystallography Open Database

Information card for entry 7216796

Preview

Coordinates	7216796.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H32 N24 Ni3 O22 V6
Calculated formula	C12 H32 N24 Ni3 O22 V6
Title of publication	Substituent position-induced diverse architectures of polyoxovanadate-based hybrid materials constructed from a linear trinuclear transition metal complex and a hexanuclear [V6O18]6−cluster
Authors of publication	Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Hou, Li-Li; Luan, Jian; Liu, Guo-Cheng
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	33
Pages of publication	7745
a	9.7732 ± 0.0006 Å
b	10.5394 ± 0.0006 Å
c	11.4624 ± 0.0007 Å
α	105.693 ± 0.001°
β	91.6 ± 0.001°
γ	114.386 ± 0.001°
Cell volume	1022.05 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0348
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	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
180498 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/67.	7216796.cif
121614	2014-08-08	cif/ Updating files of 7216795, 7216796, 7216797, 7216798 Original log message: Adding full bibliography for 7216795--7216798.cif.	7216796.cif
118210	2014-06-27	cif/ Adding structures of 7216795, 7216796, 7216797, 7216798 via cif-deposit CGI script.	7216796.cif