Crystallography Open Database

Information card for entry 7041378

Preview

Coordinates	7041378.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H190 O72 P2 Ti18
Calculated formula	C102 H160 O72 P2 Ti18
Title of publication	Synthetic investigation, structural analysis and photocatalytic study of a carboxylate-phosphonate bridged Ti18-oxo cluster.
Authors of publication	Fang, Wei-Hui; Zhang, Lei; Zhang, Jian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	3
Pages of publication	803 - 807
a	14.013 ± 0.007 Å
b	14.568 ± 0.009 Å
c	21.464 ± 0.015 Å
α	82.47 ± 0.02°
β	76.55 ± 0.03°
γ	67.69 ± 0.02°
Cell volume	3938 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.273
Residual factor for significantly intense reflections	0.1189
Weighted residual factors for significantly intense reflections	0.2732
Weighted residual factors for all reflections included in the refinement	0.3622
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
191634 (current)	2017-02-04	cif/ Updating files of 7041377, 7041378 Original log message: Adding full bibliography for 7041377--7041378.cif.	7041378.cif
189016	2016-12-09	cif/ Adding structures of 7041377, 7041378 via cif-deposit CGI script.	7041378.cif