Information card for entry 7024426

Structure parameters

• Chemical name: bis(bis(2-pyridylmethyl)tert-butylamine) bis(?-methoxo) dinickel perchlorate
• Formula: C34 H48 Cl2 N6 Ni2 O10
• Calculated formula: C34 H48 Cl2 N6 Ni2 O10
• SMILES: c1cccc2C[N]3(C(C)(C)C)Cc4[n]([Ni]53([n]12)[O](C)[Ni]12([n]3ccccc3C[N]1(C(C)(C)C)Cc1[n]2cccc1)[O]5C)cccc4.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• 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: 8.356 ± 0.002 Å
• b: 9.984 ± 0.003 Å
• c: 12.245 ± 0.003 Å
• α: 69.725 ± 0.004°
• β: 82.29 ± 0.004°
• γ: 80.908 ± 0.004°
• Cell volume: 942.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No