Crystallography Open Database

Information card for entry 7021672

Preview

Coordinates	7021672.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H82 N6 Ti2
Calculated formula	C54 H82 N6 Ti2
Title of publication	Novel aspects of the transamination reaction between Ti(NMe2)4 and primary amines.
Authors of publication	Lorber, Christian; Vendier, Laure
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	34
Pages of publication	12203 - 12219
a	11.121 ± 0.0008 Å
b	24.367 ± 0.0009 Å
c	11.171 ± 0.0007 Å
α	90°
β	119.258 ± 0.009°
γ	90°
Cell volume	2641 ± 0.4 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0992
Residual factor for significantly intense reflections	0.084
Weighted residual factors for significantly intense reflections	0.2023
Weighted residual factors for all reflections included in the refinement	0.2081
Goodness-of-fit parameter for all reflections included in the refinement	1.172
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7021672.html