Crystallography Open Database

Information card for entry 4117984

Preview

Coordinates	4117984.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C134 H194 N4 O56 Ti17
Calculated formula	C134 H194 N4 O56 Ti17
Title of publication	Interfacial Electron Transfer into Functionalized Crystalline Polyoxotitanate Nanoclusters
Authors of publication	Robert C. Snoeberger; Karin J. Young; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Gary W. Brudvig; Philip Coppens; Victor, S. Batista; Jason B. Benedict
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	8911 - 8917
a	38.622 ± 0.003 Å
b	14.0053 ± 0.0008 Å
c	30.3354 ± 0.0019 Å
α	90°
β	97.022 ± 0.002°
γ	90°
Cell volume	16285.7 ± 1.9 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0657
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0913
Weighted residual factors for all reflections included in the refinement	0.1064
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
178950 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/79.	4117984.cif
75128	2013-03-08	cif/ Adding structures of 4117984 via cif-deposit CGI script.	4117984.cif