Crystallography Open Database

Information card for entry 7031817

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Coordinates	7031817.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H70 Cl8 Ti3
Calculated formula	C108 H70 Cl8 Ti3
Title of publication	1,1-Olefin-bridged bis-(2-indenyl) metallocenes of titanium and zirconium.
Authors of publication	Morton, Jason G. M.; Al-Shammari, Haif; Sun, Yunshan; Zhu, Jiangtao; Stephan, Douglas W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	35
Pages of publication	13219 - 13231
a	20.627 ± 0.005 Å
b	15.99 ± 0.005 Å
c	25.582 ± 0.007 Å
α	90°
β	96.08 ± 0.03°
γ	90°
Cell volume	8390 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1229
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1607
Weighted residual factors for all reflections included in the refinement	0.2183
Goodness-of-fit parameter for all reflections included in the refinement	0.728
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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