Crystallography Open Database

Information card for entry 7112168

Preview

Coordinates	7112168.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H6 O18 Ti2
Calculated formula	C24 H6 O18 Ti2
Title of publication	A p-type Ti(IV)-based metal-organic framework with visible-light photo-response
Authors of publication	Junkuo Gao; Jianwei Miao; Pei-Zhou Li; Wen Yuan Teng; Ling Yang; Yanli Zhao; Bin Liu; Qichun Zhang
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	3786
a	14.62 ± 0.002 Å
b	14.62 ± 0.002 Å
c	11.698 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	2165.4 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.0325
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.0955
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
180235 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/21.	7112168.cif
107480	2014-03-19	cif/ Adding structures of 7112168 via cif-deposit CGI script.	7112168.cif