Crystallography Open Database

Information card for entry 7110022

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Coordinates	7110022.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H57 N2 O P3 Ru
Calculated formula	C35 H57 N2 O P3 Ru
SMILES	[Ru]1([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)O/C(=N\c2ccccc2)N1c1c(cccc1C(C)C)C(C)C.c1ccc(C)cc1
Title of publication	A 4-coordinate Ru(II) imido: unusual geometry, synthesis, and reactivity
Authors of publication	Amrendra K. Singh; Benjamin G. Levine; Richard J. Staples; Aaron L. Odom
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	49
Pages of publication	10799
a	10.4066 ± 0.0007 Å
b	21.1342 ± 0.0015 Å
c	17.1162 ± 0.0012 Å
α	90°
β	95.054 ± 0.001°
γ	90°
Cell volume	3749.8 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.06
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.0719
Weighted residual factors for all reflections included in the refinement	0.0786
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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