Crystallography Open Database

Information card for entry 7028946

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Coordinates	7028946.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H84 N2 Sm
Calculated formula	C52 H84 N2 Sm
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	10.426 ± 0.001 Å
b	15.174 ± 0.001 Å
c	16.268 ± 0.001 Å
α	102.872 ± 0.001°
β	103.379 ± 0.001°
γ	91.822 ± 0.001°
Cell volume	2431.5 ± 0.3 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	0.0622
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1069
Weighted residual factors for all reflections included in the refinement	0.1132
Goodness-of-fit parameter for all reflections included in the refinement	1.155
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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