Crystallography Open Database

Information card for entry 4073216

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Coordinates	4073216.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H56 N2 O Sm
Calculated formula	C34 H56 N2 O Sm
Title of publication	Reactivity of (C5Me5)2Sm(THF)2with Nitriles: C−C Bond Cleavage To Form Cyanide Complexes
Authors of publication	Evans, William J.; Montalvo, Elizabeth; Foster, Samuel E.; Harada, Kimberly A.; Ziller, Joseph W.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	11
Pages of publication	2904
a	16.4213 ± 0.0013 Å
b	12.2471 ± 0.001 Å
c	16.9408 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	3407 ± 0.5 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.048
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0594
Weighted residual factors for all reflections included in the refinement	0.0732
Goodness-of-fit parameter for all reflections included in the refinement	1.172
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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