Crystallography Open Database

Information card for entry 1514373

Preview

Coordinates	1514373.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H42 Cl F6 N3 O4 P2 Ru
Calculated formula	C39 H42 Cl F6 N3 O4 P2 Ru
SMILES	[Ru]123([P](c4ccccc4)(c4ccccc4)c4ccccc4)(Cl)[n]4ccccc4C[O]3Cc3[n]1c(ccc3)COCc1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-].OC.OC
Title of publication	Pyridyl- and benzimidazole-based ruthenium(iii) complex for selective chloride recognition through fluorescence spectroscopy
Authors of publication	Sharma, Hemant; Guadalupe, Hernández J.; Narayanan, Jayanthi; Hofeld, Herbert; Pandiyan, Thangarasu; Singh, Narinder
Journal of publication	Analytical Methods
Year of publication	2013
Journal volume	5
Journal issue	16
Pages of publication	3880
a	10.2059 ± 0.0015 Å
b	12.2904 ± 0.0018 Å
c	16.59 ± 0.002 Å
α	88.423 ± 0.002°
β	79.612 ± 0.002°
γ	67.58 ± 0.002°
Cell volume	1890.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0523
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1298
Weighted residual factors for all reflections included in the refinement	0.133
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	1514373.cif
109996	2014-04-18	cif/ Adding structures of 1514373 via cif-deposit CGI script.	1514373.cif