Crystallography Open Database

Information card for entry 7113014

Preview

Coordinates	7113014.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Magnesium salicylate 15-crown-5 hydrate acetonitrile solvate
Chemical name	Magnesium salicylate 15-crown-5 hydrate acetonitrile solvate
Formula	C47 H62 Mg2 N2 O22.5
Calculated formula	C47 H62 Mg2 N2 O22.5
Title of publication	Mechanochemistry of magnesium oxide revisited: facile derivatisation of pharmaceuticals using coordination and supramolecular chemistry.
Authors of publication	Chow, Ernest H. H.; Strobridge, Fiona C.; Friscić, Tomislav
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	34
Pages of publication	6368 - 6370
a	13.1527 ± 0.0002 Å
b	14.2669 ± 0.0002 Å
c	16.2997 ± 0.0002 Å
α	64.76 ± 0.001°
β	88.722 ± 0.001°
γ	75.257 ± 0.001°
Cell volume	2662.49 ± 0.07 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.1026
Residual factor for significantly intense reflections	0.0673
Weighted residual factors for significantly intense reflections	0.1844
Weighted residual factors for all reflections included in the refinement	0.2169
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180244 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/30.	7113014.cif
112203	2014-04-30	cif/ Adding structures of 7113012, 7113013, 7113014 via cif-deposit CGI script.	7113014.cif