Crystallography Open Database

Information card for entry 4118250

Preview

Coordinates	4118250.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H140 O44 Ti17
Calculated formula	C60 H140 O44 Ti17
Title of publication	Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters
Authors of publication	Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	11695 - 11700
a	28.3485 ± 0.0009 Å
b	14.5614 ± 0.0005 Å
c	27.5959 ± 0.0013 Å
α	90°
β	120.534 ± 0.001°
γ	90°
Cell volume	9811.7 ± 0.7 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
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	0.0644
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1079
Weighted residual factors for all reflections included in the refinement	0.1315
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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