Crystallography Open Database

Information card for entry 7048370

Preview

Coordinates	7048370.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H23 Cl2 N Ti
Calculated formula	C18 H23 Cl2 N Ti
Title of publication	Teaching c-phosphanylimines the titanaaziridine coordination mode.
Authors of publication	Fischer, Malte; Steinert, Henning; Schmidtmann, Marc; Beckhaus, Ruediger
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	6
Pages of publication	1936 - 1940
a	8.9069 ± 0.0008 Å
b	13.7152 ± 0.0012 Å
c	15.0922 ± 0.0013 Å
α	90°
β	101.607 ± 0.002°
γ	90°
Cell volume	1806 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0393
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0701
Weighted residual factors for all reflections included in the refinement	0.0732
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
224147 (current)	2019-11-07	cif/ Updating files of 7048370, 7048371 Original log message: Adding full bibliography for 7048370--7048371.cif.	7048370.cif
212630	2018-12-18	cif/ Adding structures of 7048370, 7048371 via cif-deposit CGI script.	7048370.cif