Information card for entry 7102542

Structure parameters

• Formula: C13.5 H9.5 Mn N2.5 O4.5
• Calculated formula: C13.5 H9.5 Mn N2.5 O4.5
• Title of publication: Solvent templated synthesis of metal-organic frameworks: structural characterisation and properties of the 3D network isomers [[Mn(dcbp)].1/2DMF]n and [[Mn(dcbp)][middle dot]2H2O](n).
• Authors of publication: Tynan, Eithne; Jensen, Paul; Kruger, Paul E; Lees, Anthea C
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 7
• Pages of publication: 776 - 777
• a: 15.6763 ± 0.001 Å
• b: 10.2423 ± 0.0006 Å
• c: 16.7755 ± 0.001 Å
• α: 90°
• β: 102.249 ± 0.001°
• γ: 90°
• Cell volume: 2632.2 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0522
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.267
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No