Crystallography Open Database

Information card for entry 4063812

Preview

Coordinates	4063812.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H33 Cl2 N3 Ru
Calculated formula	C29 H33 Cl2 N3 Ru
SMILES	[Ru]123(Cl)(Cl)([N](=C(c4[n]1c(ccc4)C(=[N]2c1c(cc(cc1C)C)C)C)C)c1c(cc(cc1C)C)C)[CH]#[CH]3
Title of publication	Structure and Reactivity of Acetylene Complexes of Bis(imino)pyridine Ruthenium(0)
Authors of publication	Wieder, Noah L.; Carroll, Patrick J.; Berry, Donald H.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	8
Pages of publication	2125
a	16.979 ± 0.007 Å
b	17.446 ± 0.005 Å
c	21.989 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	6513 ± 4 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	5
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0439
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1068
Weighted residual factors for all reflections included in the refinement	0.1104
Goodness-of-fit parameter for all reflections included in the refinement	1.139
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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