Information card for entry 7002727

Structure parameters

• Formula: C146 H278 Fe14 N12 O70
• Calculated formula: C146 H208 Fe14 N12 O70
• 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: 14.404 ± 0.002 Å
• b: 28.015 ± 0.003 Å
• c: 28.977 ± 0.005 Å
• α: 114.028 ± 0.002°
• β: 97.097 ± 0.002°
• γ: 102.894 ± 0.002°
• Cell volume: 10104 ± 2 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: 0.1715
• Residual factor for significantly intense reflections: 0.1163
• Weighted residual factors for significantly intense reflections: 0.3062
• Weighted residual factors for all reflections included in the refinement: 0.3579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No