Information card for entry 7002726

Structure parameters

• Formula: C116 H134 Cu2 Fe8 N10 O48
• Calculated formula: C113.5 H91 Cu2 Fe8 N10 O48
• Title of publication: Access to new magnetic cores in Fe(III) and Fe(III)/Cu(II) spin clusters
• Authors of publication: Ferguson, Alan; McGregor, Julie; Brechin, Euan K.; Thomas, Lynne H.; Murrie, Mark
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 43
• Pages of publication: 9395 - 9397
• a: 15.906 ± 0.003 Å
• b: 25.597 ± 0.004 Å
• c: 34.372 ± 0.005 Å
• α: 90°
• β: 102.686 ± 0.006°
• γ: 90°
• Cell volume: 13653 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1745
• Residual factor for significantly intense reflections: 0.1006
• Weighted residual factors for significantly intense reflections: 0.2916
• Weighted residual factors for all reflections included in the refinement: 0.3452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No