Crystallography Open Database

Information card for entry 4349745

Preview

Coordinates	4349745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H112 Cu6 N24 Nb12 O50 Si V2
Calculated formula	C24 H64 Cu6 N24 Nb12 O50 Si V2
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	14.5357 ± 0.0004 Å
b	14.5357 ± 0.0004 Å
c	22.999 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4859.4 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	128
Hermann-Mauguin space group symbol	P 4/m n c
Hall space group symbol	-P 4 2n
Residual factor for all reflections	0.134
Residual factor for significantly intense reflections	0.0994
Weighted residual factors for significantly intense reflections	0.2499
Weighted residual factors for all reflections included in the refinement	0.2746
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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.	4349745.cif