Crystallography Open Database

Information card for entry 7028943

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Coordinates	7028943.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H116 Sm2
Calculated formula	C68 H116 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	19.36 ± 0.001 Å
b	18.224 ± 0.001 Å
c	19.633 ± 0.001 Å
α	90°
β	109.649 ± 0.001°
γ	90°
Cell volume	6523.5 ± 0.6 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	3
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	0.0775
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.0967
Weighted residual factors for all reflections included in the refinement	0.1088
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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