Crystallography Open Database

Information card for entry 4303745

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Structure parameters

Common name	[Xanthdim][MgN(SiMe3)2(THF)]2.(C6H6)2.5
Formula	C96 H135 Mg2 N6 O3 Si4
Calculated formula	C96 H135 Mg2 N6 O3 Si4
Title of publication	Peculiar Binding Modes of a Ligand with Two Adjacent β-Diiminato Binding Sites in Alkali and Alkaline-Earth Metal Chemistry
Authors of publication	Dirk F.-J. Piesik; Peter Haack; Sjoerd Harder; Christian Limberg
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	11259 - 11264
a	18.326 ± 0.002 Å
b	27.314 ± 0.003 Å
c	21.13 ± 0.002 Å
α	90°
β	115.644 ± 0.006°
γ	90°
Cell volume	9535 ± 1.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.1145
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1585
Weighted residual factors for all reflections included in the refinement	0.1879
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
301836 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure.	4303745.cif
179075	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/37.	4303745.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303745.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303745.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303745.cif