Crystallography Open Database

Information card for entry 7016818

Preview

Coordinates	7016818.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 Br F3 N3 O5 Re
Calculated formula	C20 H14 Br F3 N3 O5 Re
SMILES	[Re]1(Br)([n]2cccc3c(NC(=O)C(F)(F)F)cc4ccc[n]1c4c23)(C#[O])(C#[O])C#[O].O=C(C)C
Title of publication	Luminescent rhenium(i) complexes with acetylamino- and trifluoroacetylamino-containing phenanthroline ligands: Anion-sensing study.
Authors of publication	Ng, Chi-On; Lai, Sze-Wing; Feng, Hua; Yiu, Shek-Man; Ko, Chi-Chiu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	39
Pages of publication	10020 - 10028
a	8.719 ± 0.0003 Å
b	10.9686 ± 0.0006 Å
c	12.2992 ± 0.0006 Å
α	97.534 ± 0.004°
β	97.506 ± 0.004°
γ	99.618 ± 0.004°
Cell volume	1135.61 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0298
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0781
Weighted residual factors for all reflections included in the refinement	0.0791
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179872 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/68.	7016818.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7016818.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7016818.cif
28083	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7016818, 7016819, 7016820, 7016821 via cif-deposit CGI script.	7016818.cif