Information card for entry 1101052

Structure parameters

• Formula: C40 H72 N40 Ni9 O42
• Calculated formula: C40 H30 N40 Ni9 O42
• Authors of publication: Sawsan Salameh; Mohammad Abul-Haj; Miguel Quirós; Juan M. Salas
• Journal of publication: European Journal of Inorganic Chemistry
• Year of publication: 2005
• Pages of publication: 2779 - 2782
• a: 11.0481 ± 0.0005 Å
• b: 18.27 ± 0.0008 Å
• c: 21.386 ± 0.0009 Å
• α: 65.966 ± 0.001°
• β: 83.287 ± 0.001°
• γ: 86.043 ± 0.001°
• Cell volume: 3914.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1142
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.2202
• Weighted residual factors for all reflections included in the refinement: 0.2454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No