Crystallography Open Database

Information card for entry 4120783

4120782 << 4120783 >> 4120784

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Coordinates	4120783.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 Mg N2 O8
Calculated formula	C14 H18 Mg N2 O8
Title of publication	Selective Turn-On Ammonia Sensing Enabled by High-Temperature Fluorescence in Metal-Organic Frameworks with Open Metal Sites
Authors of publication	Natalia B. Shustova; Anthony F. Cozzolino; Sebastian Reineke; Marc Baldo; Mircea Dincă
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	13326 - 13329
a	16.703 ± 0.011 Å
b	11.725 ± 0.008 Å
c	9.533 ± 0.006 Å
α	90°
β	114.85 ± 0.013°
γ	90°
Cell volume	1694.1 ± 1.9 Å³
Cell temperature	393 ± 2 K
Ambient diffraction temperature	393 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0766
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for significantly intense reflections	0.2035
Weighted residual factors for all reflections included in the refinement	0.2141
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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