Crystallography Open Database

Information card for entry 7026066

Preview

Coordinates	7026066.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H14 Cl F6 N3 O3 P Re
Calculated formula	C19 H14 Cl F6 N3 O3 P Re
SMILES	[Re]1(Cl)([n]2ccccc2c2[n]1c(ccc2)c1[n+](cccc1)C)(C#[O])(C#[O])C#[O].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Functionalisation of terpyridine complexes containing the Re(CO)3(+) moiety.
Authors of publication	Amoroso, Angelo J.; Banu, Afrosa; Coogan, Michael P.; Edwards, Peter G.; Hossain, Golzar; Malik, K. M. Abdul
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	30
Pages of publication	6993 - 7003
a	6.8448 ± 0.0002 Å
b	12.7464 ± 0.0004 Å
c	13.4209 ± 0.0005 Å
α	71.41 ± 0.001°
β	83.955 ± 0.001°
γ	78.609 ± 0.001°
Cell volume	1086.84 ± 0.06 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0507
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.0843
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
179966 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/60.	7026066.cif
93398	2014-01-13	cif/ Adding structures of 7026064, 7026065, 7026066, 7026067 via cif-deposit CGI script.	7026066.cif