Crystallography Open Database

Information card for entry 7705447

Preview

Coordinates	7705447.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H50 Cu2 N16 O13 V4
Calculated formula	C40 H50 Cu2 N16 O13 V4
Title of publication	Inorganic-organic hybrid polyoxovanadates based on [V<sub>4</sub>O<sub>12</sub>]<sup>4-</sup> or [VO<sub>3</sub>]<sub>2</sub><sup>2-</sup> clusters: controllable synthesis, crystal structures and catalytic properties in selective oxidation of sulfides.
Authors of publication	Li, Jikun; Wei, Chuanping; Guo, Daigaojie; Wang, Congcong; Han, Yinfeng; He, Guofang; Zhang, Jianping; Huang, Xianqiang; Hu, Changwen
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	40
Pages of publication	14148 - 14157
a	10.8101 ± 0.0018 Å
b	15.577 ± 0.003 Å
c	17.012 ± 0.003 Å
α	84.69 ± 0.003°
β	76.443 ± 0.003°
γ	74.492 ± 0.003°
Cell volume	2682.1 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0799
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.163
Weighted residual factors for all reflections included in the refinement	0.1805
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
258848 (current)	2020-11-06	cif/ Updating files of 7705447, 7705448, 7705449 Original log message: Adding full bibliography for 7705447--7705449.cif.	7705447.cif
256488	2020-09-17	cif/ Adding structures of 7705447, 7705448, 7705449 via cif-deposit CGI script.	7705447.cif