Crystallography Open Database

Information card for entry 1570645

Preview

Coordinates	1570645.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H79 O29 Ti8
Calculated formula	C72 H79 O29 Ti8
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	13.7327 ± 0.0007 Å
b	14.2235 ± 0.0007 Å
c	23.4194 ± 0.0012 Å
α	87.685 ± 0.002°
β	89.986 ± 0.002°
γ	66.441 ± 0.002°
Cell volume	4189.1 ± 0.4 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 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	0.0502
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1073
Weighted residual factors for all reflections included in the refinement	0.1147
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1570645.cif
288660	2024-01-04	cif/ Adding structures of 1570642, 1570643, 1570644, 1570645 via cif-deposit CGI script.	1570645.cif