Information card for entry 2205167

Structure parameters

• Chemical name: [1-(3-Aminopropyl)-4,7-dithia-1-azacyclononane- κ^4^N,N',S,S']bis(dimethylformamide-κO)nickel(II) bis(tetraphenylborate) acetonitrile disolvate
• Formula: C67 H80 B2 N6 Ni O2 S2
• Calculated formula: C67 H80 B2 N6 Ni O2 S2
• Title of publication: [1-(3-Aminopropyl)-4,7-dithia-1-azacyclononane-κ^4^<i>N</i>,<i>N</i>',<i>S,S</i>']bis(dimethylformamide-κ<i>O</i>)nickel(II) bis(tetraphenylborate) acetonitrile disolvate
• Authors of publication: Blake, Alexander J.; Lippolis, Vito
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m207 - m208
• a: 20.907 ± 0.004 Å
• b: 11.951 ± 0.004 Å
• c: 26.516 ± 0.005 Å
• α: 90°
• β: 111.06 ± 0.03°
• γ: 90°
• Cell volume: 6183 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.087
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.182
• Weighted residual factors for all reflections included in the refinement: 0.205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes