Information card for entry 7024422

Structure parameters

• Chemical name: bis(2-pyridylmethyl)tert-butylamine) nickel perchlorate trihydrate
• Formula: C16 H27 Cl2 N3 Ni O11
• Calculated formula: C16 H27 Cl2 N3 Ni O11
• 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: 9.8012 ± 0.0009 Å
• b: 15.5553 ± 0.0014 Å
• c: 15.5001 ± 0.0014 Å
• α: 90°
• β: 99.34 ± 0.001°
• γ: 90°
• Cell volume: 2331.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No