Crystallography Open Database

Information card for entry 1551285

Preview

Coordinates	1551285.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Ti(OiPr)3(Cy2PO2)]2
Formula	C21 H43 O5 P Ti
Calculated formula	C21 H43 O5 P Ti
Title of publication	Photo-redox reactivity of titanium-oxo clusters: mechanistic insight into a two-electron intramolecular process, and structural characterisation of mixed-valent Ti(III)/Ti(IV) products
Authors of publication	Kraemer, Tobias; Tuna, Floriana; Pike, Sebastian D.
Journal of publication	Chemical Science
Year of publication	2019
a	13.6325 ± 0.0002 Å
b	13.7555 ± 0.0002 Å
c	14.7582 ± 0.0002 Å
α	92.5897 ± 0.0007°
β	100.7 ± 0.0007°
γ	93.1673 ± 0.0009°
Cell volume	2710.88 ± 0.07 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0866
Residual factor for significantly intense reflections	0.056
Weighted residual factors for all reflections	0.1404
Weighted residual factors for significantly intense reflections	0.1226
Weighted residual factors for all reflections included in the refinement	0.1403
Goodness-of-fit parameter for all reflections included in the refinement	0.9816
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
215765 (current)	2019-06-08	cif/ Adding structures of 1551281, 1551282, 1551283, 1551284, 1551285, 1551286, 1551287, 1551288, 1551289 via cif-deposit CGI script.	1551285.cif