Information card for entry 2006064

Structure parameters

• Formula: C8 H24 F12 N4 Ni P2 S2
• Calculated formula: C8 H24 F12 N4 Ni P2 S2
• SMILES: [P](F)(F)(F)(F)(F)[F-].C1C[S]2CC[NH2][Ni]342([NH2]1)[NH2]CC[S]4CC[NH2]3.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Bis[bis(2-aminoethyl-<i>N</i>)sulfide-<i>S</i>]nickel(II) Bis(hexafluorophosphate)
• Authors of publication: Blake, A. J.; Danks, J. P.; Parsons, S.; Schröder, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 411 - 413
• a: 17.582 ± 0.012 Å
• b: 9.451 ± 0.008 Å
• c: 24.558 ± 0.017 Å
• α: 90°
• β: 98.88 ± 0.08°
• γ: 90°
• Cell volume: 4032 ± 5 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections: 0.302
• Weighted residual factors for significantly intense reflections: 0.2062
• Goodness-of-fit parameter for all reflections: 1.044
• Goodness-of-fit parameter for significantly intense reflections: 0.856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes