Crystallography Open Database

Information card for entry 7248285

Preview

Coordinates	7248285.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H167 N4 O36 S Ti10
Calculated formula	C80 H167 N4 O36 S Ti10
Title of publication	Accurate assembly of thiophene-bridged titanium-oxo clusters with photocatalytic amine oxidation activity
Authors of publication	Nai, Haoran; Hou, Jinle; Li, Jinyu; Ma, Xiaoxi; Yang, Yujia; Qu, Konggang; Huang, Xianqiang; Li, Lianzhi
Journal of publication	RSC Advances
Year of publication	2024
Journal volume	14
Journal issue	11
Pages of publication	7924 - 7931
a	16.598 ± 0.0005 Å
b	18.4583 ± 0.0006 Å
c	20.9945 ± 0.0007 Å
α	74.614 ± 0.003°
β	75.671 ± 0.003°
γ	74.331 ± 0.003°
Cell volume	5863 ± 0.3 Å³
Cell temperature	213 ± 0.1 K
Ambient diffraction temperature	213 ± 0.1 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	0.0796
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1663
Weighted residual factors for all reflections included in the refinement	0.1774
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
290370 (current)	2024-03-07	cif/ Adding structures of 7248285 via cif-deposit CGI script.	7248285.cif