Crystallography Open Database

Information card for entry 7030863

Preview

Coordinates	7030863.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H32 F12 N6 O2 P2 Ru
Calculated formula	C36 H32 F12 N6 O2 P2 Ru
SMILES	c1cc(C)cc2c3cc(C)cc[n]3[Ru]34([n]12)([n]1ccc(cc1c1[n]4ccc(c1)C=O)C=O)[n]1ccc(C)cc1c1cc(C)cc[n]31.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Colorimetric and luminescent bifunctional Ru(ii) complexes for rapid and highly sensitive recognition of cyanide.
Authors of publication	Li, Mei-Jin; Lin, Zhihong; Chen, Xiudan; Chen, Guonan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	30
Pages of publication	11745 - 11751
a	31.553 ± 0.003 Å
b	31.553 ± 0.003 Å
c	25.58 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	22055 ± 5 Å³
Cell temperature	194 ± 2 K
Ambient diffraction temperature	194 ± 2 K
Number of distinct elements	7
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0936
Residual factor for significantly intense reflections	0.0775
Weighted residual factors for significantly intense reflections	0.2472
Weighted residual factors for all reflections included in the refinement	0.2637
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.8 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180014 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/08.	7030863.cif
121640	2014-08-08	cif/ Updating files of 7030863 Original log message: Adding full bibliography for 7030863.cif.	7030863.cif
113322	2014-05-10	cif/ Adding structures of 7030863 via cif-deposit CGI script.	7030863.cif