Crystallography Open Database

Information card for entry 4104252

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Coordinates	4104252.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H128 P8 Sm4
Calculated formula	C86 H120 P8 Sm4
Title of publication	[{(η5-C5Me5)2Sm}4P8]: A Molecular Polyphosphide of the Rare-Earth Elements
Authors of publication	Sergey N. Konchenko; Nikolay A. Pushkarevsky; Michael T. Gamer; Ralf Köppe; Hansgeorg Schnöckel; Peter W. Roesky
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	5740 - 5741
a	14.973 ± 0.0011 Å
b	20.7674 ± 0.0012 Å
c	28.0225 ± 0.0015 Å
α	90°
β	90.211 ± 0.005°
γ	90°
Cell volume	8713.5 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0717
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.0884
Weighted residual factors for all reflections included in the refinement	0.0943
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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