Information card for entry 7014715

Structure parameters

• Formula: C59.25 H112 Co6 N4 O29.75
• Calculated formula: C59.25 H88.5 Co6 N4 O29.75
• 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: 26.301 ± 0.0011 Å
• b: 13.4284 ± 0.0007 Å
• c: 42.785 ± 0.002 Å
• α: 90°
• β: 97.201 ± 0.003°
• γ: 90°
• Cell volume: 14991.6 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No