Information card for entry 7027036

Structure parameters

• Formula: C24 H34 N4 Ni O3
• Calculated formula: C24 H34 N4 Ni O3
• Title of publication: Confinement of C60 in an extended saddle shaped nickel(II) macrocycle
• Authors of publication: Croucher, Paul D.; Nichols, Peter J.; Raston, Colin L.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 3
• Pages of publication: 279
• a: 7.974 ± 0.0006 Å
• b: 23.452 ± 0.002 Å
• c: 12.267 ± 0.001 Å
• α: 90°
• β: 90.911 ± 0.005°
• γ: 90°
• Cell volume: 2293.7 ± 0.3 ų
• Cell temperature: 273.2 K
• Ambient diffraction temperature: 273.2 K
• Number of distinct elements: 5
• 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: 0.0673
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections: 0.547
• Goodness-of-fit parameter for all reflections included in the refinement: 0.547
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No