Crystallography Open Database

Information card for entry 2311909

2311908 << 2311909 >> 2311910

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Structure parameters

Chemical name	Bis(2,6-di-<i>tert</i>-butyl-4-methylphenolato)-1κ<i>O</i>,3κ<i>O</i>- tetrakis(μ-2-methylphenolato)-1:2κ^4^<i>O</i>:<i>O</i>;2:3κ^4^<i>O</i>:<i>O</i>-bis(tetrahydrofuran)-1κ<i>O</i>,3κ<i>O</i>-trimagnesium(II)
Formula	C66 H90 Mg3 O8
Calculated formula	C66 H90 Mg3 O8
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	23.1969 ± 0.0017 Å
b	11.2068 ± 0.0008 Å
c	24.388 ± 0.0017 Å
α	90°
β	100.344 ± 0.001°
γ	90°
Cell volume	6236.9 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.07
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1302
Weighted residual factors for all reflections included in the refinement	0.1439
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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.	2311909.cif
246163	2019-12-26	cif/ Adding structures of 2311908, 2311909, 2311910 via cif-deposit CGI script.	2311909.cif