Information card for entry 7707194

Structure parameters

• Common name: (mu2-carbonatato)-diaqua-bis(1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-4-methyl-1,4-diazepane-N,N',N")-di-nickel(II) diperchlorate acetone solvate dihydrate
• Chemical name: (mu2-carbonatato)-diaqua-bis(1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-4-methyl-1,4-diazepane-N,N',N")-di-nickel(II) diperchlorate acetone solvate dihydrate
• Formula: C34 H64 Cl2 N6 Ni2 O18
• Calculated formula: C34 H64 Cl2 N6 Ni2 O18
• Title of publication: Fixation of atmospheric CO₂ as C1-feedstock by nickel(ii) complexes.
• Authors of publication: Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 23
• Pages of publication: 7984 - 7994
• a: 11.7462 ± 0.0007 Å
• b: 15.1861 ± 0.0009 Å
• c: 25.956 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4630 ± 0.5 ų
• Cell temperature: 290.9 ± 0.4 K
• Ambient diffraction temperature: 290.9 ± 0.4 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No