Crystallography Open Database

Information card for entry 4335606

Preview

Coordinates	4335606.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H14 N O5 Re
Calculated formula	C17 H14 N O5 Re
SMILES	[Re]1([N](=Cc2c(O1)cccc2)c1ccccc1)([OH]C)(C#[O])(C#[O])C#[O]
Title of publication	Activation of Rhenium(I) Toward Substitution in fac-[Re(N,O'-Bid)(CO)3(HOCH3)] by Schiff-Base Bidentate Ligands (N,O'-Bid)
Authors of publication	Alice Brink; Hendrik G. Visser; Andreas Roodt
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	8950 - 8961
a	18.4769 ± 0.0007 Å
b	13.483 ± 0.0007 Å
c	13.9281 ± 0.0007 Å
α	90°
β	108.988 ± 0.003°
γ	90°
Cell volume	3281 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for all reflections included in the refinement	0.1019
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179459 (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 4/33/56.	4335606.cif
101541	2014-02-14	cif/ Adding structures of 4335606 via cif-deposit CGI script.	4335606.cif