Crystallography Open Database

Information card for entry 4101996

4101995 << 4101996 >> 4101997

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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

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