Crystallography Open Database

Information card for entry 4072304

Preview

Coordinates	4072304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H76.5 N4.5 P Ru
Calculated formula	C55 H76.5 N4.5 P Ru
Title of publication	Indenyl Hemilability: Unveiling a Masked (η5-C5Me5)Ru(κ2-P,Carbene) Zwitterion Via Facile and Reversible Ru−C(sp3) Bond Cleavage
Authors of publication	Rankin, Matthew A.; Schatte, Gabriele; McDonald, Robert; Stradiotto, Mark
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	23
Pages of publication	6286
a	10.951 ± 0.0009 Å
b	14.3673 ± 0.0012 Å
c	16.7877 ± 0.0013 Å
α	84.2967 ± 0.0011°
β	77.9902 ± 0.001°
γ	73.5579 ± 0.001°
Cell volume	2475.5 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0969
Weighted residual factors for all reflections included in the refinement	0.1016
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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