Information card for entry 4308983

Structure parameters

• Formula: C54 H48 Cl2 Mn2 N14 O8
• Calculated formula: C54 H48 Cl2 Mn2 N14 O8.02
• Title of publication: Magneto-Structural Correlations: Synthesis of a Family of End-On Azido-Bridged Manganese(II) Dinuclear Compounds with S= 5 Spin Ground State
• Authors of publication: Tapan K. Karmakar; Barindra K. Ghosh; A. Usman; Hoong-Kun Fun; Eric Rivière; Talal Mallah; Guillem Aromí; Swapan K. Chandra
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 2391 - 2399
• a: 21.616 ± 0.003 Å
• b: 17.6242 ± 0.0017 Å
• c: 14.2932 ± 0.0018 Å
• α: 90°
• β: 90.636 ± 0.01°
• γ: 90°
• Cell volume: 5444.9 ± 1.1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• 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: 0.0886
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No