Information card for entry 7037636

Structure parameters

• Formula: C42 H63 Cl3 N14 Ni2 O12
• Calculated formula: C42 H63 Cl3 N14 Ni2 O12
• Title of publication: Bimetallic nickel complexes for selective CO2 carbon capture and sequestration.
• Authors of publication: Möller, F; Merz, K.; Herrmann, C.; Apfel, U.-P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 3
• Pages of publication: 904 - 907
• a: 11.1608 ± 0.0003 Å
• b: 15.0248 ± 0.0003 Å
• c: 16.3126 ± 0.0003 Å
• α: 112.164 ± 0.0018°
• β: 91.4575 ± 0.0018°
• γ: 94.8008 ± 0.0017°
• Cell volume: 2519.6 ± 0.1 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: 0.052
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No