Information card for entry 2234156

Structure parameters

• Common name: Bis(propane-1,3-diamine)disaccharinatonickel(II)
• Chemical name: Bis(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')bis(1,1,3-trioxo-2,3- dihydro-1λ^6,2^-benzothiazol-2-ido-κ<i>N</i>)nickel(II)
• Formula: C20 H28 N6 Ni O6 S2
• Calculated formula: C20 H28 N6 Ni O6 S2
• SMILES: [NH2]1CCC[NH2][Ni]21(N1C(=O)c3ccccc3S1(=O)=O)(N1C(=O)c3ccccc3S1(=O)=O)[NH2]CCC[NH2]2
• Title of publication: Bis(propane-1,3-diamine)disaccharinatonickel(II)
• Authors of publication: Kaştaş, Gökhan; Kocabıyık, Can
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m425 - m426
• a: 11.447 ± 0.005 Å
• b: 7.209 ± 0.006 Å
• c: 15.236 ± 0.005 Å
• α: 90°
• β: 109.313 ± 0.005°
• γ: 90°
• Cell volume: 1186.5 ± 1.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes