Crystallography Open Database

Information card for entry 2241488

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Structure parameters

Chemical name	<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-\ Hexamethylguanidinium cyanate 1.5-hydrate
Formula	C16 H42 N8 O5
Calculated formula	C16 H42 N8 O5
Title of publication	Crystal structure of <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-hexamethylguanidinium cyanate 1.5-hydrate
Authors of publication	Tiritiris, Ioannis; Kantlehner, Willi
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	12
Pages of publication	o1076 - o1077
a	8.3245 ± 0.0005 Å
b	22.536 ± 0.002 Å
c	13.258 ± 0.0012 Å
α	90°
β	108.092 ± 0.007°
γ	90°
Cell volume	2364.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.037
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0875
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181915 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/14.	2241488.cif 2241488.hkl
174738	2016-01-22	cif/ hkl/ Adding structures of 2241488 via cif-deposit CGI script.	2241488.cif 2241488.hkl