Crystallography Open Database

Information card for entry 4101995

4101994 << 4101995 >> 4101996

Preview

Coordinates	4101995.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H61 N3 O14 Ti3
Calculated formula	C39 H61 N3 O14 Ti3
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	11.7389 ± 0.0019 Å
b	12.886 ± 0.002 Å
c	18.312 ± 0.002 Å
α	94.758 ± 0.004°
β	90.202 ± 0.005°
γ	116.344 ± 0.004°
Cell volume	2471.3 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0715
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1378
Weighted residual factors for all reflections included in the refinement	0.1621
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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.	4101995.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4101995.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101995.cif
24814	2011-09-07	../uploads/cif-deposit/cod/cif Adding structures of 4101995 via cif-deposit CGI script.	4101995.cif