Crystallography Open Database

Information card for entry 7034608

Preview

Coordinates	7034608.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H47 Mg N5
Calculated formula	C28 H47 Mg N5
SMILES	[Mg]12([N](=NN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)([N](C)(C)CC[N]2(C)C)CCCC
Title of publication	1,3-Bis(2,4,6-trimethylphenyl)triazenides of potassium, magnesium, calcium, and strontium.
Authors of publication	Kalden, Diana; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	17
Pages of publication	8089 - 8099
a	12.7596 ± 0.0002 Å
b	16.734 ± 0.0003 Å
c	14.8552 ± 0.0003 Å
α	90°
β	111.355 ± 0.001°
γ	90°
Cell volume	2954.1 ± 0.09 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	4
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	0.0901
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1138
Weighted residual factors for all reflections included in the refinement	0.1275
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
180052 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/46.	7034608.cif
138757	2015-06-07	cif/ Updating files of 7034604, 7034605, 7034606, 7034607, 7034608, 7034609, 7034610 Original log message: Adding full bibliography for 7034604--7034610.cif.	7034608.cif
134408	2015-03-26	cif/ Adding structures of 7034604, 7034605, 7034606, 7034607, 7034608, 7034609, 7034610 via cif-deposit CGI script.	7034608.cif