Crystallography Open Database

Information card for entry 4063270

Preview

Coordinates	4063270.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H36 Ti
Calculated formula	C40 H36 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	16.7551 ± 0.0007 Å
b	21.3806 ± 0.0005 Å
c	16.9183 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6060.7 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0724
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1176
Weighted residual factors for all reflections included in the refinement	0.1282
Goodness-of-fit parameter for all reflections included in the refinement	0.996
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4063270.html