Crystallography Open Database

Information card for entry 4335604

Preview

Coordinates	4335604.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 N O5 Re
Calculated formula	C18 H16 N O5 Re
SMILES	[Re]1([N](=Cc2c(O1)cccc2)c1cc(ccc1)C)([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	18.513 ± 0.006 Å
b	13.598 ± 0.006 Å
c	14.294 ± 0.005 Å
α	90°
β	106.443 ± 0.002°
γ	90°
Cell volume	3451 ± 2 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	0.0356
Weighted residual factors for all reflections included in the refinement	0.0671
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71069 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.	4335604.cif
101539	2014-02-14	cif/ Adding structures of 4335604 via cif-deposit CGI script.	4335604.cif