Crystallography Open Database

Information card for entry 1513615

Preview

Coordinates	1513615.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H45 K Mg N2
Calculated formula	C22 H45 K Mg N2
Title of publication	Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation
Authors of publication	Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T.
Journal of publication	Chemical Science
Year of publication	2014
Journal volume	5
Journal issue	2
Pages of publication	771
a	12.8807 ± 0.0005 Å
b	26.5173 ± 0.0009 Å
c	16.1073 ± 0.0006 Å
α	90°
β	105.997 ± 0.004°
γ	90°
Cell volume	5288.6 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0729
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.0923
Weighted residual factors for all reflections included in the refinement	0.0975
Goodness-of-fit parameter for all reflections included in the refinement	0.805
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513615.cif
105087	2014-03-11	cif/ Adding structures of 1513615, 1513616, 1513617, 1513618, 1513619 via cif-deposit CGI script.	1513615.cif