Crystallography Open Database

Information card for entry 7703407

Preview

Coordinates	7703407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H38 Ti
Calculated formula	C27 H38 Ti
Title of publication	Synthesis of a titanium ethylene complex via C-H-activation and alternative access to Cp<sub>2</sub>Ti(η<sup>2</sup>-Me<sub>3</sub>SiC<sub>2</sub>SiMe<sub>3</sub>).
Authors of publication	Fischer, Malte; Vincent-Heldt, Lisa; Hillje, Malena; Schmidtmann, Marc; Beckhaus, Ruediger
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	7
Pages of publication	2068 - 2072
a	9.181 ± 0.0003 Å
b	11.4645 ± 0.0004 Å
c	20.7463 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2183.66 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0626
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.1112
Weighted residual factors for all reflections included in the refinement	0.1238
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
248959 (current)	2020-03-05	cif/ Updating files of 7703407, 7703408 Original log message: Adding full bibliography for 7703407--7703408.cif.	7703407.cif
247402	2020-01-31	cif/ Adding structures of 7703407, 7703408 via cif-deposit CGI script.	7703407.cif