Crystallography Open Database

Information card for entry 7114916

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Coordinates	7114916.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H74 Li2 N8 O20 Ti2
Calculated formula	C60 H74 Li2 N8 O20 Ti2
Title of publication	Kinetic versus thermodynamic control of the self-assembly of isomeric double-stranded dinuclear titanium(iv) complexes from a phenylalanine-bridged dicatechol ligand
Authors of publication	Albrecht, Markus; Napp, Matthias; Schneider, Matthias; Weis, Patrick; Fröhlich, Roland
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	5
Pages of publication	409
a	9.404 ± 0.001 Å
b	22.726 ± 0.001 Å
c	15.382 ± 0.001 Å
α	90°
β	95.04 ± 0.01°
γ	90°
Cell volume	3274.7 ± 0.4 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1293
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for significantly intense reflections	0.121
Weighted residual factors for all reflections included in the refinement	0.1468
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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