Crystallography Open Database

Information card for entry 4349744

Preview

Coordinates	4349744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H36 K6 Nb6 O36
Calculated formula	K6 Nb6 O36
SMILES	[K+].O.[K+].O=[Nb]1234O[Nb]567(O[Nb]89(=O)(O[Nb]%10%11(=O)(O[Nb]%12(O[Nb](=O)(O1)(O%10)([O]468%11%12)O7)(=O)(O3)O9)O5)O2)=O.[K+].O.O.O.O.O.O.O.O.[K+].O.[K+].[K+].O.O.O.O.O.O.O
Title of publication	New organic‒inorganic hybrid compounds based on [SiNb12V2O42]12− with high catalytic activity for styrene epoxidation
Authors of publication	Zhang, Ting-Ting; Zhang, Xiao; Lü, Ying; Li, Guo-Dong; Xiao, Li-Na; Cui, Xiao-Bing; Xu, Ji-Qing
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2017
Journal volume	4
Journal issue	8
Pages of publication	1397
a	12.102 ± 0.002 Å
b	12.703 ± 0.003 Å
c	10.068 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1547.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.0561
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1808
Weighted residual factors for all reflections included in the refinement	0.1818
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
235786 (current)	2019-11-24	cif/ Adding structures of 4349744, 4349745, 4349746, 4349747 via cif-deposit CGI script.	4349744.cif