Crystallography Open Database

Information card for entry 7209618

7209617 << 7209618 >> 7209619

Preview

Coordinates	7209618.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H72 Ge5 N12 O30 V6
Calculated formula	C24 H48 Ge5 N12 O30 V6
SMILES	[V]123([O]4[V]56([O]7[V]89([O]5[Ge]5%10%11(O[Ge]%124O[Ge]4%13%14([O]1[V]1%15([O]%16[V]%17%18([O]4%15)(=O)[O]%12[V]([O]85)([O]9[Ge]%16(O[Ge]7([O]21)=O)=O)([O]%17CC[NH]%18CCN)(=O)OCCNCCN)=O)OCC[NH]%13CC[NH2]%14)OCC[NH]%10CC[NH2]%11)=O)([O]3CC[NH]6CC[NH2])=O)(=O)OCC[NH]CC[NH2].O.O.O
Title of publication	A new type of germanium‒vanadate cluster, [Ge5V6O21(heda)6] (Hheda = N-(2-hydroxyethyl)ethylenediamine)
Authors of publication	You, Li-Sheng; Zhu, Qin-Yu; Zhang, Xiang; Pu, Ya-Yang; Bian, Guo-Qing; Dai, Jie
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	13
Pages of publication	2411
a	26.1217 ± 0.001 Å
b	20.3172 ± 0.0006 Å
c	21.5286 ± 0.0005 Å
α	90°
β	90.214 ± 0.003°
γ	90°
Cell volume	11425.6 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1205
Residual factor for significantly intense reflections	0.0686
Weighted residual factors for significantly intense reflections	0.1644
Weighted residual factors for all reflections included in the refinement	0.1976
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7209618.cif
86056	2013-05-09	cif/ Adding structures of 7209618 via cif-deposit CGI script.	7209618.cif