Crystallography Open Database

Information card for entry 4063274

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Coordinates	4063274.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H45 Cl2 Ti
Calculated formula	C43 H45 Cl2 Ti
Title of publication	Chiral Bis(η5:η1-pentafulvene)titanium Complexes
Authors of publication	Mira Diekmann; Geert Bockstiegel; Arne Lützen; Marion Friedemann; Wolfgang Saak; Detlev Haase; Rüdiger Beckhaus
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	2
Pages of publication	339 - 348
a	10.8634 ± 0.0005 Å
b	11.7578 ± 0.0005 Å
c	16.4825 ± 0.0009 Å
α	71.487 ± 0.005°
β	81.618 ± 0.006°
γ	63.231 ± 0.005°
Cell volume	1782.4 ± 0.15 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0427
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0691
Weighted residual factors for all reflections included in the refinement	0.0728
Goodness-of-fit parameter for all reflections included in the refinement	0.943
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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