Crystallography Open Database

Information card for entry 7219413

7219412 << 7219413 >> 7219414

Preview

Coordinates	7219413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H36 Mo6 Nd2 O44 V2
Calculated formula	Mo6 Nd2 O44 V2
SMILES	[O]=1[Nd]23([O]=[Mo]456(O[Mo]78(O[Mo]9%101([O]148[V]48%11(O7)[O]9[Mo]79%12(O[Mo]%13%14%15(O[Mo]%16(=[O][Nd]([O]=7)([O]=4)([O]=%15)([OH2])([OH2])([OH2])([OH2])[OH2])([O]5[V]1(=[O]2)(O%13)([O]89%14%16)[O]%10%12)(=O)[O]6%11)=O)=O)=O)(=O)[O]=3)=O)([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O.O.O
Title of publication	Lanthanide-supported molybdenum‒vanadium oxide clusters: syntheses, structures and catalytic properties
Authors of publication	Fei, Fei; An, Haiyan; Meng, Changgong; Wang, Lin; Wang, Huilong
Journal of publication	RSC Adv.
Year of publication	2015
a	10.038 ± 0.005 Å
b	10.049 ± 0.006 Å
c	10.118 ± 0.006 Å
α	106.967 ± 0.008°
β	101.48 ± 0.009°
γ	91.502 ± 0.008°
Cell volume	952.8 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0917
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1454
Weighted residual factors for all reflections included in the refinement	0.1661
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
180525 (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 7/21/94.	7219413.cif
130162	2015-01-28	cif/ Adding structures of 7219413 via cif-deposit CGI script.	7219413.cif