Crystallography Open Database

Information card for entry 2105196

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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	12.1682 ± 0.0002 Å
b	12.2695 ± 0.0002 Å
c	16.2038 ± 0.0003 Å
α	90°
β	105.412 ± 0.001°
γ	90°
Cell volume	2332.2 ± 0.07 Å³
Cell temperature	224 ± 2 K
Ambient diffraction temperature	224 ± 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	0.1078
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1532
Weighted residual factors for all reflections included in the refinement	0.1747
Goodness-of-fit parameter for all reflections included in the refinement	1.14
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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