Crystallography Open Database

Information card for entry 7042435

Preview

Coordinates	7042435.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H32 Cl2 Mg N4
Calculated formula	C12 H32 Cl2 Mg N4
SMILES	[Mg]12([NH](CC)CC[NH]1CC)([NH](CC)CC[NH]2CC)(Cl)Cl
Title of publication	Crystalline magnesium chloride-electron donor complexes: new support materials for Ziegler-Natta catalysts.
Authors of publication	Nissinen, V. H.; Koshevoy, I. O.; Pakkanen, T. T.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	13
Pages of publication	4452 - 4460
a	6.7256 ± 0.0004 Å
b	7.9186 ± 0.0005 Å
c	8.2724 ± 0.0005 Å
α	84.028 ± 0.002°
β	84.044 ± 0.001°
γ	84.459 ± 0.001°
Cell volume	434.17 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0249
Residual factor for significantly intense reflections	0.0221
Weighted residual factors for significantly intense reflections	0.0587
Weighted residual factors for all reflections included in the refinement	0.0603
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
195074 (current)	2017-04-05	cif/ Updating files of 7042435, 7042436, 7042437 Original log message: Adding full bibliography for 7042435--7042437.cif.	7042435.cif
194180	2017-03-11	cif/ Adding structures of 7042435, 7042436, 7042437 via cif-deposit CGI script.	7042435.cif