Information card for entry 4307594

Structure parameters

• Formula: C85.5 H66 Mn3 N7.5 O14.25
• Calculated formula: C85.5 H65.5 Mn3 N7.5 O14.25
• 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: 10.502 ± 0.0003 Å
• b: 17.7237 ± 0.0005 Å
• c: 19.9453 ± 0.0005 Å
• α: 98.608 ± 0.002°
• β: 94.671 ± 0.002°
• γ: 91.647 ± 0.002°
• Cell volume: 3655.34 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0751
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.6894 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No