Crystallography Open Database

Information card for entry 1556512

Preview

Coordinates	1556512.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	'Tetra-μ-iodo-bis((1,3-bis(3,5,3'',5''-tetramethyl-1,1':3';1''- terphenyl-2'))(triazenido-N,N''))trimagnesium'
Formula	C88 H84 I4 Mg3 N6
Calculated formula	C88 H84 I4 Mg3 N6
SMILES	[Mg]12([I][Mg]3([I][Mg]4([I]3)[N](=NN4c3c(cccc3c3cc(cc(c3)C)C)c3cc(cc(c3)C)C)c3c(cccc3c3cc(cc(c3)C)C)c3cc(cc(c3)C)C)[I]1)[N](=NN2c1c(cccc1c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)c1c(cccc1c1cc(cc(c1)C)C)c1cc(cc(c1)C)C
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	16.9933 ± 0.0005 Å
b	17.5771 ± 0.0005 Å
c	17.8005 ± 0.0005 Å
α	93.427 ± 0.002°
β	99.534 ± 0.002°
γ	109.991 ± 0.002°
Cell volume	4888.5 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0876
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.1305
Weighted residual factors for all reflections included in the refinement	0.1344
Goodness-of-fit parameter for all reflections included in the refinement	1.921
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
244995 (current)	2019-12-11	cif/ Adding structures of 1556509, 1556510, 1556511, 1556512, 1556513, 1556514 via cif-deposit CGI script.	1556512.cif