Crystallography Open Database

Information card for entry 4335492

Preview

Coordinates	4335492.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(ONO)ReO(PPh3)
Chemical name	Oxo(triphenylphosphine)(bis(3,5-di-tert-butyl-2-phenoxo)amido)rhenium(V)
Formula	C46 H55 N O3 P Re
Calculated formula	C46 H55 N O3 P Re
Title of publication	Nonclassical Oxygen Atom Transfer as a Synthetic Strategy: Preparation of an Oxorhenium(V) Complex of the Bis(3,5-di-tert-butyl-2-phenoxo)amide Ligand
Authors of publication	Daniel D. Wright; Seth N. Brown
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7831 - 7833
a	10.162 ± 0.0006 Å
b	14.7652 ± 0.0009 Å
c	28.6116 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	4293 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.024
Residual factor for significantly intense reflections	0.0204
Weighted residual factors for significantly intense reflections	0.0381
Weighted residual factors for all reflections included in the refinement	0.0387
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
179457 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/54.	4335492.cif
101422	2014-02-13	cif/ Adding structures of 4335492 via cif-deposit CGI script.	4335492.cif