Crystallography Open Database

Information card for entry 1551052

Preview

Coordinates	1551052.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Mo(O)(TBOS)3]
Formula	C36 H81 Mo O13 Si3
Calculated formula	C36 H81 Mo O13 Si3
Title of publication	Reactive Coordinatively Saturated Mo(III) Complex: Exploiting the Adaptive Hapticity of Tris(tert-butoxy)silanolate Ligands
Authors of publication	Pucino, Margherita; Allouche, Florian; Gordon, Christopher P.; Wörle, Michael; Mougel, Victor; Coperet, Christophe
Journal of publication	Chemical Science
Year of publication	2019
a	18.0787 ± 0.0005 Å
b	23.6043 ± 0.0008 Å
c	36.5549 ± 0.0012 Å
α	90°
β	103.07 ± 0.001°
γ	90°
Cell volume	15195.2 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0638
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.092
Weighted residual factors for all reflections included in the refinement	0.1013
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
215156 (current)	2019-05-15	cif/ Adding structures of 1551046, 1551047, 1551048, 1551049, 1551050, 1551051, 1551052, 1551053, 1551054 via cif-deposit CGI script.	1551052.cif