Crystallography Open Database

Information card for entry 7028944

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Coordinates	7028944.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H63 N Sm
Calculated formula	C39 H63 N 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	20.33 ± 0.001 Å
b	19.811 ± 0.001 Å
c	19.622 ± 0.001 Å
α	90°
β	108.088 ± 0.001°
γ	90°
Cell volume	7512.4 ± 0.7 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.099
Residual factor for significantly intense reflections	0.0635
Weighted residual factors for significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.1279
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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