Crystallography Open Database

Information card for entry 2008493

2008492 << 2008493 >> 2008494

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Coordinates	2008493.cif
Original IUCr paper	HTML

Structure parameters

Common name	Tris(1,3-diaminopropane-N,N')nickel(II) diperchlorate
Chemical name	Tris(1,3-diaminopropane-N,N')nickel(II) diperchlorate
Formula	C9 H30 Cl2 N6 Ni O8
Calculated formula	C9 H30 Cl2 N6 Ni O8
SMILES	[Ni]123([NH2]CCC[NH2]1)([NH2]CCC[NH2]3)[NH2]CCC[NH2]2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	Tris(1,3-diaminopropane-<i>N</i>,<i>N</i>')nickel(II) diperchlorate
Authors of publication	Olof Kristiansson
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	5
Pages of publication	IUC9900038
a	14.06 ± 0.0009 Å
b	26.4879 ± 0.0016 Å
c	32.732 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	12190 ± 1.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.104
Residual factor for significantly intense reflections	0.06
Weighted residual factors for all reflections included in the refinement	0.195
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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