Information card for entry 7014716

Structure parameters

• Formula: C40.75 H87 N4 Ni4 O22.75
• Calculated formula: C40.75 H75 N4 Ni4 O22.75
• Title of publication: Bis-tris propane as a new multidentate ligand for nickel- and cobalt-based spin clusters.
• Authors of publication: Ferguson, Alan; Schmidtmann, Marc; Brechin, Euan K.; Murrie, Mark
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 2
• Pages of publication: 334 - 336
• a: 12.392 ± 0.011 Å
• b: 20.294 ± 0.011 Å
• c: 21.86 ± 0.014 Å
• α: 90°
• β: 91.3 ± 0.04°
• γ: 90°
• Cell volume: 5496 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0702
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No