Crystallography Open Database

Information card for entry 2105194

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Structure parameters

Chemical name	acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate
Formula	C14 H30 N4 Ni O13
Calculated formula	C14 H30 N4 Ni O13
Title of publication	[Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase
Authors of publication	Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt
Journal of publication	Acta Crystallographica Section B
Year of publication	2012
Journal volume	68
Journal issue	4
Pages of publication	389 - 400
a	12.1722 ± 0.0002 Å
b	12.2573 ± 0.0002 Å
c	16.1891 ± 0.0003 Å
α	90°
β	105.412 ± 0.001°
γ	90°
Cell volume	2328.53 ± 0.07 Å³
Cell temperature	218 ± 2 K
Ambient diffraction temperature	218 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.097
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1346
Weighted residual factors for all reflections included in the refinement	0.1567
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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