Crystallography Open Database

Information card for entry 2244068

Preview

Coordinates	2244068.cif
Structure factors	2244068.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(ammonium) bis[pentaaqua(dimethylformamide)zinc(II)] decavanadate tetrahydrate
Formula	C6 H50 N4 O44 V10 Zn2
Calculated formula	C6 H50 N4 O44 V10 Zn2
SMILES	C(N(C)C)=[O][Zn]([OH2])([OH2])([OH2])([OH2])[OH2].[NH4+].O1[V]234(O[V]567(=O)O[V]89%10(=O)[O]%11%1225[V]25%13(O[V]1%11(O6)(O9)=O)[O]8[V]168(O[V]9%11%14(O[V]%15%12([O]%101)(O7)[O]1%1389[V](O5)(=O)(O[V]1([O]32)(=O)([O]4%15)O%14)(O6)O%11)=O)=O)=O.O.O.C(N(C)C)=[O][Zn]([OH2])([OH2])([OH2])([OH2])[OH2].[NH4+].O.O
Title of publication	Crystal structure of bis(ammonium) bis[pentaaqua(dimethylformamide)zinc(II)] decavanadate tetrahydrate
Authors of publication	Ebrahimi, Arash; Gyepes, Róbert; Bujdoš, Marek; Krivosudský, Lukáš
Journal of publication	Acta Crystallographica Section E
Year of publication	2022
Journal volume	78
Journal issue	5
a	15.5436 ± 0.0006 Å
b	8.6538 ± 0.0004 Å
c	16.7362 ± 0.0007 Å
α	90°
β	108.628 ± 0.001°
γ	90°
Cell volume	2133.27 ± 0.16 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0293
Residual factor for significantly intense reflections	0.0232
Weighted residual factors for significantly intense reflections	0.0541
Weighted residual factors for all reflections included in the refinement	0.0564
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
274371 (current)	2022-04-06	cif/ hkl/ Adding structures of 2244068 via cif-deposit CGI script.	2244068.cif 2244068.hkl