Information card for entry 7013037

Structure parameters

• Formula: C110 H128 Mn8 N24 O16
• Calculated formula: C104 H99.92 Mn8 N24 O16
• Title of publication: Applications of manganocene in the synthesis of Mn(II) amide and imide cages
• Authors of publication: Carmen Soria Alvarez; Alan Bashall; Andrew D. Bond; Dale Cave; Eilís A. Harron; Richard A. Layfield; Marta E. G. Mosquera; Mary McPartlin; Jeremy M. Rawson; Paul T. Wood; Dominic S. Wright
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 15
• Pages of publication: 3002 - 3008
• a: 24.3007 ± 0.0012 Å
• b: 24.3007 ± 0.0012 Å
• c: 20.5467 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12133.3 ± 1.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1067
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections: 0.2008
• Weighted residual factors for significantly intense reflections: 0.1402
• Goodness-of-fit parameter for all reflections: 1.027
• Goodness-of-fit parameter for significantly intense reflections: 1.11
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No