Crystallography Open Database

Information card for entry 7016820

Preview

Coordinates	7016820.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H17 Br N3 O5 Re
Calculated formula	C20 H17 Br N3 O5 Re
SMILES	[Re]1(Br)([n]2cccc3c(NC(=O)C)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	7.4454 ± 0.0002 Å
b	12.9411 ± 0.0002 Å
c	13.0901 ± 0.0003 Å
α	118.902 ± 0.002°
β	99.42 ± 0.002°
γ	93.226 ± 0.002°
Cell volume	1075.81 ± 0.05 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0196
Residual factor for significantly intense reflections	0.0179
Weighted residual factors for significantly intense reflections	0.0421
Weighted residual factors for all reflections included in the refinement	0.0429
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
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.	7016820.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7016820.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7016820.cif
28083	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7016818, 7016819, 7016820, 7016821 via cif-deposit CGI script.	7016820.cif