Crystallography Open Database

Information card for entry 2019304

2019303 << 2019304 >> 2019305

Preview

Coordinates	2019304.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Tricarbonyl(pyridine-κ<i>N</i>){5-[2-(2,4,6-trimethylphenyl)diazen-1-yl]quinolin-8-olato-κ^2^<i>N</i>^1^,<i>O</i>}rhenium(I)
Formula	C26 H21 N4 O4 Re
Calculated formula	C26 H21 N4 O4 Re
SMILES	C(#[O])[Re]1(C#[O])(C#[O])([n]2ccccc2)[n]2cccc3c(ccc(c23)O1)N=Nc1c(cc(cc1C)C)C
Title of publication	Distorted octahedral environments in tricarbonylrhenium(I) complexes of 5-[2-(2,4,6-trimethylphenyl)diazen-1-yl]quinolin-8-olate and 5,7-bis[2-(2-methylphenyl)diazen-1-yl]quinolin-8-olate
Authors of publication	Schutte-Smith, Marietjie; Muller, Theunis J.; Visser, Hendrik G.; Roodt, Andreas
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	1467 - 1471
a	23.723 ± 0.003 Å
b	6.7123 ± 0.0007 Å
c	14.8382 ± 0.0017 Å
α	90°
β	94.178 ± 0.004°
γ	90°
Cell volume	2356.5 ± 0.5 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	0.0491
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for all reflections included in the refinement	0.0743
Goodness-of-fit parameter for all reflections included in the refinement	1.125
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
176760 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2019304.cif
92243	2014-01-12	cif/ Adding structures of 2019304, 2019305 via cif-deposit CGI script.	2019304.cif