Crystallography Open Database

Information card for entry 7016717

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Coordinates	7016717.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H44 Cl N3 P2 Ru
Calculated formula	C48 H44 Cl N3 P2 Ru
Title of publication	From amine to ruthenaziridine to azaallyl: unusual transformation of di-(2-pyridylmethyl)amine on ruthenium.
Authors of publication	Prokopchuk, Demyan E.; Lough, Alan J.; Morris, Robert H.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	40
Pages of publication	10603 - 10608
a	11.0768 ± 0.0003 Å
b	33.8502 ± 0.0012 Å
c	12.4059 ± 0.0002 Å
α	90°
β	91.673 ± 0.0016°
γ	90°
Cell volume	4649.6 ± 0.2 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 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	0.163
Residual factor for significantly intense reflections	0.073
Weighted residual factors for significantly intense reflections	0.1776
Weighted residual factors for all reflections included in the refinement	0.2182
Goodness-of-fit parameter for all reflections included in the refinement	0.93
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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