Crystallography Open Database

Information card for entry 4088326

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Coordinates	4088326.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H70 Mg2 O4
Calculated formula	C36 H70 Mg2 O4
Title of publication	Magnesiacycloalkanes with Different Ring Sizes
Authors of publication	Fischer, Reinald; Görls, Helmar; Langer, Jens; Enke, Marcel; Westerhausen, Matthias
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	4
Pages of publication	587
a	8.9034 ± 0.0002 Å
b	13.2987 ± 0.0003 Å
c	17.1263 ± 0.0004 Å
α	90°
β	104.568 ± 0.001°
γ	90°
Cell volume	1962.62 ± 0.08 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0519
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1143
Weighted residual factors for all reflections included in the refinement	0.1201
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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