Crystallography Open Database

Information card for entry 4075940

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Coordinates	4075940.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H57 N Ru3
Calculated formula	C35 H7 N2 Ru3
Title of publication	Synthesis and Structure of a Triruthenium Complex Containing a Perpendicularly Coordinatedμ3-η2:η2(⊥)-Nitrile Ligand and Its Protonation To Yield a Perpendicularly Coordinated Iminoacyl Ligand
Authors of publication	Takao, Toshiro; Kawashima, Takashi; Matsubara, Kouki; Suzuki, Hiroharu
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	14
Pages of publication	3371
a	18.2198 ± 0.0001 Å
b	17.9121 ± 0.0001 Å
c	21.1707 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	6909.16 ± 0.06 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0596
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1262
Weighted residual factors for all reflections included in the refinement	0.1273
Goodness-of-fit parameter for all reflections included in the refinement	1.223
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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