Crystallography Open Database

Information card for entry 4073218

Preview

Coordinates	4073218.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C99 H141 N6 Sm3
Calculated formula	C99 H138 N6 Sm3
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	20.3157 ± 0.0008 Å
b	20.3157 ± 0.0008 Å
c	14.2464 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	5092.1 ± 0.4 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	4
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0939
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.1781
Weighted residual factors for all reflections included in the refinement	0.2046
Goodness-of-fit parameter for all reflections included in the refinement	1.164
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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