Crystallography Open Database

Information card for entry 2104244

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Structure parameters

Chemical name	diaqua(15-crown-5)nickel(II) nitrate
Formula	C10 H24 N2 Ni O13
Calculated formula	C10 H24 N2 Ni O13
SMILES	[Ni]1234([O]5CC[O]1CC[O]2CC[O]3CC[O]4CC5)([OH2])[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-]
Title of publication	Five more phases of the structural family [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~
Authors of publication	Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
Journal of publication	Acta Crystallographica Section B
Year of publication	2008
Journal volume	64
Journal issue	6
Pages of publication	738 - 749
a	14.719 ± 0.002 Å
b	28.041 ± 0.003 Å
c	10.704 ± 0.002 Å
α	90.2 ± 0.01°
β	125.99 ± 0.02°
γ	89.87 ± 0.001°
Cell volume	3574.6 ± 1.3 Å³
Cell temperature	308 ± 2 K
Ambient diffraction temperature	308 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	C -1
Hall space group symbol	-P 1 (1/2x+1/2y,1/2x-1/2y,-z)
Residual factor for all reflections	0.0798
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1095
Weighted residual factors for all reflections included in the refinement	0.1254
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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