Crystallography Open Database

Information card for entry 4322976

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Coordinates	4322976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H74 O5 S Ti2
Calculated formula	C62 H86 O5 S Ti2
Title of publication	Monocyclopentadienyl-Titanium Aryloxide Sulfide Complexes
Authors of publication	Andrea V. Firth; Douglas W. Stephan
Journal of publication	Inorganic Chemistry
Year of publication	1998
Journal volume	37
Pages of publication	4726 - 4731
a	15.101 ± 0.008 Å
b	17.614 ± 0.005 Å
c	13.044 ± 0.007 Å
α	96.28 ± 0.04°
β	102.53 ± 0.04°
γ	114.62 ± 0.03°
Cell volume	3000 ± 3 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 significantly intense reflections	0.093
Weighted residual factors for significantly intense reflections	0.078
Goodness-of-fit parameter for significantly intense reflections	2.09
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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