Crystallography Open Database

Information card for entry 2208000

2207999 << 2208000 >> 2208001

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Structure parameters

Common name	tris(piperidinium) bis(3,5-dinitrosalicylate) picrate monohydrate
Chemical name	tris(piperidinium) bis(3,5-dinitrosalicylate) picrate monohydrate
Formula	C28.79 H42.79 N7.21 O15
Calculated formula	C28.79 H42.79 N7.21 O15
Title of publication	Mixed 3,5-dinitrosalicylate(2‒) and partial 3,5-dinitrosalicylate(1‒) and picrate(1‒) species in tris(piperidinium) bis(3,5-dinitrosalicylate) picrate monohydrate
Authors of publication	Graham Smith; Urs D. Wermuth; Peter C. Healy
Journal of publication	Acta Crystallographica Section E
Year of publication	2006
Journal volume	62
Journal issue	2
Pages of publication	o610 - o613
a	12.5457 ± 0.0015 Å
b	12.903 ± 0.002 Å
c	13.1415 ± 0.0017 Å
α	67.63 ± 0.01°
β	89.012 ± 0.01°
γ	64.41 ± 0.01°
Cell volume	1746.4 ± 0.5 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.219
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1417
Weighted residual factors for all reflections included in the refinement	0.211
Goodness-of-fit parameter for all reflections included in the refinement	0.889
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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