Crystallography Open Database

Information card for entry 1570643

Preview

Coordinates	1570643.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C134 H100 O58 Ti16
Calculated formula	C134 H100 O58 Ti16
Title of publication	All-catecholate-stabilized black titanium-oxo clusters for efficient photothermal conversion.
Authors of publication	Hou, Jinle; Huang, Nahui; Acharya, Dinesh; Liu, Yuxin; Zhu, Jiaying; Teng, Jiaxin; Wang, Zhi; Qu, Konggang; Zhang, Xianxi; Sun, Di
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	7
Pages of publication	2655 - 2664
a	15.114 ± 0.004 Å
b	16.444 ± 0.005 Å
c	17.284 ± 0.005 Å
α	63.041 ± 0.009°
β	64.513 ± 0.013°
γ	71.596 ± 0.009°
Cell volume	3417.2 ± 1.7 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1185
Residual factor for significantly intense reflections	0.0737
Weighted residual factors for significantly intense reflections	0.1865
Weighted residual factors for all reflections included in the refinement	0.2212
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290128 (current)	2024-03-04	cif/ Updating files of 1570642, 1570643, 1570644, 1570645 Original log message: Adding full bibliography for 1570642--1570645.cif.	1570643.cif
288660	2024-01-04	cif/ Adding structures of 1570642, 1570643, 1570644, 1570645 via cif-deposit CGI script.	1570643.cif