Information card for entry 4307599

Structure parameters

• Formula: C64 H64.56 Mn4 N4 O22.28
• Calculated formula: C64 H64 Mn4 N4 O22.284
• Title of publication: Novel Linear Transition Metal Clusters of a Heptadentate Bis-β-diketone Ligand
• Authors of publication: Guillem Aromí; Patrick Gamez; J. Krzystek; Huub Kooijman; Anthony L. Spek; Elizabeth J. MacLean; Simon J. Teat; Harriott Nowell
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2519 - 2529
• a: 15.8846 ± 0.0011 Å
• b: 15.8321 ± 0.0011 Å
• c: 14.0294 ± 0.001 Å
• α: 90°
• β: 113.446 ± 0.002°
• γ: 90°
• Cell volume: 3236.9 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• 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: 0.0564
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6711 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No