Crystallography Open Database

Information card for entry 7042437

Preview

Coordinates	7042437.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H26 Cl4 Mg2 O5
Calculated formula	C10 H26 Cl4 Mg2 O5
SMILES	C[O]1CCC[O](C)[Mg]21([O](C)CCC[O]2C)([OH2])[Cl][Mg](Cl)(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	8.155 ± 0.0003 Å
b	17.8774 ± 0.0008 Å
c	14.0589 ± 0.0006 Å
α	90°
β	103.905 ± 0.002°
γ	90°
Cell volume	1989.59 ± 0.14 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0552
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0781
Weighted residual factors for all reflections included in the refinement	0.0871
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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.	7042437.cif
194180	2017-03-11	cif/ Adding structures of 7042435, 7042436, 7042437 via cif-deposit CGI script.	7042437.cif