Crystallography Open Database

Information card for entry 4076097

Preview

Coordinates	4076097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20.5 H25 Cl2 N O Ti
Calculated formula	C20.5 H25 Cl2 N O Ti
Title of publication	Synthesis, Structural Features, and Formation of Organometallic Derivates of C1-Bridged Cp/Amido Titanium and Zirconium “CpCN-Constrained Geometry” Systems
Authors of publication	Wang, Cun; Erker, Gerhard; Kehr, Gerald; Wedeking, Katrin; Fröhlich, Roland
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	20
Pages of publication	4760
a	9.118 ± 0.001 Å
b	10.196 ± 0.001 Å
c	11.842 ± 0.001 Å
α	78.07 ± 0.01°
β	73.09 ± 0.01°
γ	81.5 ± 0.01°
Cell volume	1026.03 ± 0.19 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0917
Weighted residual factors for all reflections included in the refinement	0.0958
Goodness-of-fit parameter for all reflections included in the refinement	0.98
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/4076097.html