Information card for entry 7012270

Structure parameters

• Formula: C53 H70 B N4 Ni2 O9
• Calculated formula: C53 H70 B N4 Ni2 O9
• Title of publication: Dinuclear nickel(ii) complexes of reduced asymmetric compartmental ligandsIn memoriam Noel McAuliffe (1941‒2002).
• Authors of publication: Adams, Harry; Clunas, Scott; Fenton, David E.; Spey, Sharon E.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 4
• Pages of publication: 625
• a: 11.2426 ± 0.0017 Å
• b: 13.318 ± 0.002 Å
• c: 18.752 ± 0.003 Å
• α: 71.951 ± 0.003°
• β: 82.185 ± 0.003°
• γ: 88.779 ± 0.003°
• Cell volume: 2644.1 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1452
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.2128
• Weighted residual factors for all reflections included in the refinement: 0.2507
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No