Crystallography Open Database

Information card for entry 4080821

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Structure parameters

Formula	C12 H30 Br2 Mg N4
Calculated formula	C12 H30 Br2 Mg N4
SMILES	C(C[N]1(C)C)[N]23CC[N]([Mg]12(Br)[N](CC3)(C)C)(C)C.[Br-]
Title of publication	Synthesis and Reactivity of Magnesium Complexes Supported by Tris(2-dimethylaminoethyl)amine (Me6tren)
Authors of publication	Guard, Louise M.; Hazari, Nilay
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	9
Pages of publication	2787
a	12.193 ± 0.017 Å
b	12.193 ± 0.017 Å
c	12.193 ± 0.017 Å
α	90°
β	90°
γ	90°
Cell volume	1813 ± 4 Å³
Cell temperature	223 K
Ambient diffraction temperature	223 K
Number of distinct elements	5
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.0407
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.1054
Weighted residual factors for all reflections included in the refinement	0.1091
Goodness-of-fit parameter for all reflections included in the refinement	0.876
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301831 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure.	4080821.cif
178697	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/08.	4080821.cif
87296	2013-07-14	cif/ Adding structures of 4080821, 4080822, 4080823, 4080824 via cif-deposit CGI script.	4080821.cif