Crystallography Open Database

Information card for entry 4101996

4101995 << 4101996 >> 4101997

Preview

Coordinates	4101996.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H58 N2 O16 Ti4
Calculated formula	C32 H58 N2 O16 Ti4
Title of publication	The Crystalline Nanocluster Phase as a Medium for Structural and Spectroscopic Studies of Light Absorption of Photosensitizer Dyes on Semiconductor Surfaces
Authors of publication	Jason B. Benedict; Philip Coppens
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	2938 - 2944
a	11.8121 ± 0.0015 Å
b	19.17 ± 0.002 Å
c	20.403 ± 0.004 Å
α	90°
β	94.052 ± 0.006°
γ	90°
Cell volume	4608.5 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0858
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1149
Weighted residual factors for all reflections included in the refinement	0.1471
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
178765 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/19.	4101996.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4101996.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101996.cif
24815	2011-09-07	../uploads/cif-deposit/cod/cif Adding structures of 4101996 via cif-deposit CGI script.	4101996.cif