Crystallography Open Database

Information card for entry 1556510

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Structure parameters

Formula	C48 H52 I Mg N3 O
Calculated formula	C48 H52 I Mg N3 O
SMILES	[Mg]1(I)([N](=NN1c1c(cccc1c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)c1c(cccc1c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)[O](CC)CC
Title of publication	Hetero- and Homoleptic Magnesium Triazenides
Authors of publication	Vindus, D.; Niemeyer, M.
Journal of publication	Inorganics
Year of publication	2017
Journal volume	5
Pages of publication	33
a	19.848 ± 0.004 Å
b	9.373 ± 0.002 Å
c	23.033 ± 0.004 Å
α	90°
β	90.386 ± 0.014°
γ	90°
Cell volume	4284.9 ± 1.5 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0545
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0858
Weighted residual factors for all reflections included in the refinement	0.0897
Goodness-of-fit parameter for all reflections included in the refinement	0.886
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1556510.cif
244995	2019-12-11	cif/ Adding structures of 1556509, 1556510, 1556511, 1556512, 1556513, 1556514 via cif-deposit CGI script.	1556510.cif