Crystallography Open Database

Information card for entry 7013599

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Structure parameters

Formula	C61 H75 Cl2 O2 Ti2
Calculated formula	C61 H75 Cl2 O2 Ti2
Title of publication	Synthesis, stereochemistry, bonding and fluxionality of 2-(inden-3-yl)phenols and their cyclopentadienyl titanium derivatives
Authors of publication	Luke E. Turner; Matthew G. Thorn; R. D. Swartz II; Robert W. Chesnut; Phillip E. Fanwick; Ian P. Rothwell
Journal of publication	Dalton Trans.
Year of publication	2003
Journal issue	24
Pages of publication	4580 - 4589
a	10.2296 ± 0.0008 Å
b	10.728 ± 0.001 Å
c	13.6638 ± 0.0014 Å
α	102.861 ± 0.005°
β	102.52 ± 0.005°
γ	96.692 ± 0.006°
Cell volume	1405.6 ± 0.2 Å³
Cell temperature	203 K
Ambient diffraction temperature	203 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	0.099
Residual factor for significantly intense reflections	0.074
Weighted residual factors for significantly intense reflections	0.192
Weighted residual factors for all reflections included in the refinement	0
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MO-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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