Information card for entry 4103982

Structure parameters

• Formula: C114 H224 N46 Ni2 O74 Pd6
• Calculated formula: C114 H156 N46 Ni2 O74 Pd6
• Title of publication: Spin Crossover by Encapsulation
• Authors of publication: Kosuke Ono; Michito Yoshizawa; Munetaka Akita; Tatsuhisa Kato; Yoshihide Tsunobuchi; Shin-ichi Ohkoshi; Makoto Fujita
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 2782 - 2783
• a: 18.623 ± 0.003 Å
• b: 36.669 ± 0.006 Å
• c: 26.997 ± 0.005 Å
• α: 90°
• β: 107.203 ± 0.002°
• γ: 90°
• Cell volume: 17611 ± 5 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 6
• 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: 0.0897
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No