Crystallography Open Database

Information card for entry 2312114

Preview

Coordinates	2312114.cif
Structure factors	2312114.hkl
Original paper (by DOI)	HTML

Structure parameters

Common name	Bis(tert-butyldimethylsilyloxy)dioxomolybdenum(2,2'-bipyridyl)
Chemical name	(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')-<i>trans</i>-bis(<i>tert</i>-\ butyldimethylsilyloxy)-<i>cis</i>-dioxiomolybdenum(VI)
Formula	C22 H38 Mo N2 O4 Si2
Calculated formula	C22 H38 Mo N2 O4 Si2
SMILES	[Mo]1([n]2ccccc2c2[n]1cccc2)(O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)(=O)=O
Title of publication	Crystal structure of (2,2'-bi-pyridine-κ<sup>2</sup><i>N</i>,<i>N</i>')-<i>trans</i>-bis-(<i>tert</i>-butyl-dimethyl-sil-yloxy)-<i>cis</i>-dioxidomolybdenum(VI).
Authors of publication	Minyaev, Mikhail E.; Vinogradov, Alexander A.; Nifant'ev, Ilya E.; Churakov, Andrei V.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2018
Journal volume	74
Journal issue	Pt 7
Pages of publication	970 - 972
a	8.4027 ± 0.0008 Å
b	12.8657 ± 0.0013 Å
c	14.4266 ± 0.0014 Å
α	113.144 ± 0.002°
β	91.133 ± 0.002°
γ	105.501 ± 0.002°
Cell volume	1368.1 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0686
Weighted residual factors for all reflections included in the refinement	0.0747
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
283999 (current)	2023-05-25	cif/ hkl/ Adding structures of 2312114 via cif-deposit CGI script.	2312114.cif 2312114.hkl