Crystallography Open Database

Information card for entry 7048312

Preview

Coordinates	7048312.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H21 Cl K3 N3 O28 Ti3
Calculated formula	C21 H18 Cl0.9999 K3 N3 O28 Ti3
Title of publication	A layered titanium(iv)-peroxo-pyridine dicarboxylic cluster: crystal structure and photoelectrochemical sensing of dopamine.
Authors of publication	Li, Caixia; Tao, Ran; Jin, Zhanbin; Li, Fengyan; Fang, Wencheng; Xu, Lin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	4
Pages of publication	1175 - 1178
a	14.4378 ± 0.0016 Å
b	21.135 ± 0.002 Å
c	11.9539 ± 0.001 Å
α	90°
β	98.084 ± 0.003°
γ	90°
Cell volume	3611.4 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
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	0.1122
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1156
Weighted residual factors for all reflections included in the refinement	0.1391
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224083 (current)	2019-11-07	cif/ Updating files of 7048312 Original log message: Adding full bibliography for 7048312.cif.	7048312.cif
212421	2018-12-07	cif/ Adding structures of 7048312 via cif-deposit CGI script.	7048312.cif