Crystallography Open Database

Information card for entry 1100945

Preview

Coordinates	1100945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27.25 H20 Cl2 N5 O4.25 Ru S
Calculated formula	C27.25 H20 Cl2 N5 O4.25 Ru S
SMILES	Cl[Ru]123([n]4c5ccccc5sc4c4[n]1cccc4)[n]1ccccc1c1[n]3c(c3[n]2cccc3)ccc1.[O-]Cl(=O)(=O)=O.CO
Title of publication	Effect of 2-(2-Pyridyl)azole-Based Ancillary Ligands (L1-4) on the Electrophilicity of the Nitrosyl Function in [RuII(trpy)(L1-4)(NO)]3+ [trpy = 2,2':6',2''-Terpyridine]. Synthesis, Structures, and Spectroscopic, Electrochemical, and Kinetic Aspects
Authors of publication	Nripen Chanda; Debamita Paul; Sanjib Kar; Shaikh M. Mobin; Anindya Datta; Vedavati G. Puranik; K. Krishnamurthy Rao; Goutam Kumar Lahiri
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	3499 - 3511
a	13.6062 ± 0.0016 Å
b	15.2525 ± 0.0018 Å
c	15.6016 ± 0.0019 Å
α	113.505 ± 0.002°
β	93.348 ± 0.002°
γ	105.418 ± 0.002°
Cell volume	2812.3 ± 0.6 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	0.1044
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.1933
Weighted residual factors for all reflections included in the refinement	0.2138
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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