Information card for entry 4305856

Structure parameters

• Formula: C22 H30 N4 Ni O2
• Calculated formula: C22 H30 N4 Ni O2
• SMILES: C1CC[N]2=Cc3ccccc3O[Ni]342([NH]1C)[NH](CCC[N]3=Cc1ccccc1O4)C
• Title of publication: Coordination-Driven Self-Assembly of a Novel Carbonato-Bridged Heteromolecular Neutral Nickel(II) Triangle by Atmospheric CO2 Fixation
• Authors of publication: Pampa Mukherjee; Michael G. B. Drew; Marta Estrader; Ashutosh Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7784 - 7791
• a: 6.8166 ± 0.0004 Å
• b: 8.7263 ± 0.001 Å
• c: 17.778 ± 0.002 Å
• α: 90°
• β: 96.099 ± 0.008°
• γ: 90°
• Cell volume: 1051.52 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0691
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 0.747
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No