Crystallography Open Database

Information card for entry 4308789

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Coordinates	4308789.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H32 N6 O4 Ru
Calculated formula	C30 H32 N6 O4 Ru
SMILES	C1(=CC(C)=[O][Ru]2([n]3ccccc3Nc3ncccc3)(O1)([n]1ccccc1Nc1ncccc1)[O]=C(C)C=C(C)O2)C
Title of publication	Unusual Monodentate Binding Mode of 2,2'-Dipyridylamine (L) in Isomeric trans-(acac)2RuII(L)2, trans-[(acac)2RuIII(L)2]ClO4, and cis-(acac)2RuII(L)2 (acac = Acetylacetonate). Synthesis, Structures, and Spectroscopic, Electrochemical, and Magnetic Aspects
Authors of publication	Sanjib Kar; Nripen Chanda; Shaikh M. Mobin; Francisco A. Urbanos; Mark Niemeyer; Vedavati G. Puranik; Reyes Jimenez-Aparicio; Goutam Kumar Lahiri
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	1571 - 1579
a	11.243 ± 0.0015 Å
b	12.025 ± 0.0018 Å
c	21.839 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2952.6 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P c n n
Hall space group symbol	-P 2ab 2c
Residual factor for all reflections	0.1929
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.1162
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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