Crystallography Open Database

Information card for entry 7028947

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Coordinates	7028947.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H130 N2 Sm2
Calculated formula	C86 H130 N2 Sm2
Title of publication	N-aromatic heterocycle adducts of bulky [1,2,4-(Me3C)3C5H2]2Sm: synthesis, structure and solution analysis.
Authors of publication	Nocton, Grégory; Ricard, Louis
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	11
Pages of publication	4380 - 4387
a	11.621 ± 0.001 Å
b	19.215 ± 0.001 Å
c	19.645 ± 0.001 Å
α	105.725 ± 0.001°
β	98.579 ± 0.001°
γ	101.698 ± 0.001°
Cell volume	4036.7 ± 0.5 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0977
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1264
Weighted residual factors for all reflections included in the refinement	0.1434
Goodness-of-fit parameter for all reflections included in the refinement	1.131
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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