Information card for entry 7024423

Structure parameters

• Chemical name: bis(2-pyridylmethyl)tert-butylamine) nickel perchlorate monohydrate diacetonotrile
• Formula: C20 H29 Cl2 N5 Ni O9
• Calculated formula: C20 H29 Cl2 N5 Ni O9
• Title of publication: Carbonate formation within a nickel dimer: synthesis of a coordinatively unsaturated bis(mu-hydroxo) dinickel complex and its reactivity toward carbon dioxide.
• Authors of publication: Wikstrom, Jeffrey P.; Filatov, Alexander S.; Mikhalyova, Elena A.; Shatruk, Michael; Foxman, Bruce M.; Rybak-Akimova, Elena V
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 2504 - 2514
• a: 10.686 ± 0.002 Å
• b: 14.934 ± 0.003 Å
• c: 32.606 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5203.4 ± 1.8 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0463
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for all reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9735
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No