Information card for entry 7702586

Structure parameters

• Formula: C49 H62 B Cu Fe N3 O2
• Calculated formula: C49 H62 B Cu Fe N3 O2
• Title of publication: Heterodimetallic copper(ii) compounds containing ferrocenecarboxylato(‒1) and triamines as ligands
• Authors of publication: Costa, Ramon; López, Concepción; Molins, Elies; Espinosa, Enric; Pérez, José
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 19
• Pages of publication: 2833
• a: 12.743 ± 0.004 Å
• b: 14.115 ± 0.005 Å
• c: 14.295 ± 0.005 Å
• α: 77.92 ± 0.04°
• β: 68.16 ± 0.03°
• γ: 67.43 ± 0.04°
• Cell volume: 2197.2 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2771
• Residual factor for significantly intense reflections: 0.1083
• Weighted residual factors for significantly intense reflections: 0.2806
• Weighted residual factors for all reflections included in the refinement: 0.3478
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No