Crystallography Open Database

Information card for entry 7230560

Preview

Coordinates	7230560.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C113 H260 O55 Ti14
Calculated formula	C113 H168 O55 Ti14
Title of publication	Structures and photophysical performances of (fluoro)salicylate stabilized polyoxo-titanium clusters
Authors of publication	Zhu, Bang-Chang; Fang, Wei-Hui; Emayavaramban, Perumal; Zhang, Lei; Zhang, Jian
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	39
Pages of publication	5964
a	30.9695 ± 0.0005 Å
b	17.8839 ± 0.0003 Å
c	26.09 ± 0.0004 Å
α	90°
β	108.239 ± 0.002°
γ	90°
Cell volume	13724.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1027
Residual factor for significantly intense reflections	0.0851
Weighted residual factors for significantly intense reflections	0.228
Weighted residual factors for all reflections included in the refinement	0.2498
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
228983 (current)	2019-11-17	cif/ Updating files of 7230559, 7230560 Original log message: Adding full bibliography for 7230559--7230560.cif.	7230560.cif
207469	2018-04-25	cif/ Adding structures of 7230559, 7230560 via cif-deposit CGI script.	7230560.cif