Crystallography Open Database

Information card for entry 7245870

Preview

Coordinates	7245870.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C216 H342 N18 O104 Ti30
Calculated formula	C216 H342 N18 O104 Ti30
Title of publication	A close-packed Ti6 and Ti12 nanocluster superstructure
Authors of publication	Li, Huan; Cui, Xiaoqin; Li, Xin; Dong, Jing; Wang, Yuan; Zhang, Xian-Ming
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	1
Pages of publication	53 - 57
a	30.0732 ± 0.001 Å
b	30.0732 ± 0.001 Å
c	29.0267 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	22734.6 ± 1.4 Å³
Cell temperature	298 ± 1 K
Ambient diffraction temperature	298 ± 1 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1774
Residual factor for significantly intense reflections	0.1178
Weighted residual factors for significantly intense reflections	0.3109
Weighted residual factors for all reflections included in the refinement	0.3636
Goodness-of-fit parameter for all reflections included in the refinement	1.133
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
281406 (current)	2023-03-04	cif/ Updating files of 7245870 Original log message: Adding full bibliography for 7245870.cif.	7245870.cif
279407	2022-11-19	cif/ Adding structures of 7245870 via cif-deposit CGI script.	7245870.cif