Information card for entry 2007880

Structure parameters

• Formula: C10 H32 F12 N10 Ni2 P2 S2
• Calculated formula: C10 H32 F12 N10 Ni2 P2 S2
• SMILES: C1#[N][Ni]23([NH2]CC[NH2]2)([NH2]CC[NH2]3)SC#[N][Ni]23([NH2]CC[NH2]2)([NH2]CC[NH2]3)S1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Bis[bis(ethylenediamine-<i>N</i>,<i>N</i>')(μ~<i>N~,{ıt S</i>}-thiocyanato)nickel(II)] Bis(hexafluorophosphate)
• Authors of publication: James, Michael; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki; Hambley, Trevor W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1809 - 1811
• a: 15.865 ± 0.003 Å
• b: 16.781 ± 0.003 Å
• c: 12.691 ± 0.003 Å
• α: 90°
• β: 124.72 ± 0.02°
• γ: 90°
• Cell volume: 2777.1 ± 1.2 ų
• Cell temperature: 273.2 K
• Ambient diffraction temperature: 273.2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections: 1.49
• Goodness-of-fit parameter for all reflections included in the refinement: 1.49
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No