Information card for entry 7009887

Structure parameters

• Formula: C48.5 H42 Cl1.5 F24 Mn2 N4 O12
• Calculated formula: C48.5 H42 Cl1.5 F24 Mn2 N4 O12
• Title of publication: Supramolecular interactions and magnetism of metal‒radical chains †
• Authors of publication: Caneschi, Andrea; Gatteschi, Dante; Lalioti, Nikolia; Sangregorio, Claudio; Sessoli, Roberta
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 21
• Pages of publication: 3907
• a: 27.342 ± 0.004 Å
• b: 13.973 ± 0.004 Å
• c: 22.922 ± 0.003 Å
• α: 89.94 ± 0.02°
• β: 125.794 ± 0.012°
• γ: 90.03 ± 0.02°
• Cell volume: 7103 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.2324
• Residual factor for significantly intense reflections: 0.107
• Weighted residual factors for all reflections: 0.3975
• Weighted residual factors for significantly intense reflections: 0.2968
• Goodness-of-fit parameter for all reflections: 1.044
• Goodness-of-fit parameter for significantly intense reflections: 1.184
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No