Crystallography Open Database

Information card for entry 1516437

Preview

Coordinates	1516437.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H34 Br N2 O10 Re
Calculated formula	C33 H34 Br N2 O10 Re
SMILES	C([Re]1(C#[O])(C#[O])(Br)[n]2ccc(cc2c2cc(cc[n]12)COCCOCCOCCOCCOc1cc2c(cc1)c(cc(=O)o2)C)C)#[O]
Title of publication	Synthesis, Characterization, Ion-Binding Properties, and Fluorescence Resonance Energy Transfer Behavior of Rhenium(I) Complexes Containing a Coumarin-Appended 2,2′-Bipyridine†
Authors of publication	Yam, Vivian Wing-Wah; Song, Hai-Ou; Chan, Steve Tak-Wah; Zhu, Nianyong; Tao, Chi-Hang; Wong, Keith Man-Chung; Wu, Li-Xin
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2009
Journal volume	113
Journal issue	27
Pages of publication	11674
a	12.019 ± 0.002 Å
b	12.068 ± 0.002 Å
c	13.281 ± 0.002 Å
α	109.45 ± 0.03°
β	105.58 ± 0.03°
γ	93.4 ± 0.03°
Cell volume	1726.1 ± 0.7 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 2 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	0.0406
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0728
Weighted residual factors for all reflections included in the refinement	0.0834
Goodness-of-fit parameter for all reflections included in the refinement	0.525
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516437.cif
114862	2014-05-29	cif/ Adding structures of 1516437 via cif-deposit CGI script.	1516437.cif