Crystallography Open Database

Information card for entry 2311908

2311907 << 2311908 >> 2311909

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Structure parameters

Chemical name	Bis(2,6-di-<i>tert</i>-butyl-4-methylphenolato)-1κ<i>O</i>,2κ<i>O</i>-(1,2-dimethoxyethane-1κ^2^<i>O</i>,<i>O</i>')bis(μ-phenylmethanolato-1:2κ^2^<i>O</i>:<i>O</i>)(tetrahydrofuran-2κ<i>O</i>)dimagnesium(II)
Formula	C52 H78 Mg2 O7
Calculated formula	C52 H78 Mg2 O7
Title of publication	Structural diversity of polynuclear Mg<sub>x</sub>O<sub>y</sub> cores in magnesium phenoxide complexes.
Authors of publication	Minyaev, Mikhail E.; Churakov, Andrei V.; Nifant'ev, Ilya E.
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2017
Journal volume	73
Journal issue	Pt 11
Pages of publication	854 - 861
a	12.014 ± 0.0008 Å
b	13.8692 ± 0.0009 Å
c	15.7804 ± 0.001 Å
α	84.797 ± 0.001°
β	89.778 ± 0.001°
γ	74.914 ± 0.001°
Cell volume	2527.8 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0641
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1049
Weighted residual factors for all reflections included in the refinement	0.1154
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301809 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/31/ Each referenced PubChem compound corresponds to the full crystal structure.	2311908.cif
246163	2019-12-26	cif/ Adding structures of 2311908, 2311909, 2311910 via cif-deposit CGI script.	2311908.cif