Information card for entry 4505203

Structure parameters

• Formula: C24 H24 Mn N2 O6
• Calculated formula: C24 H24 Mn N2 O6
• SMILES: [Mn]12([n]3c(C(=O)O1)ccc1ccccc31)([n]1c(C(=O)O2)ccc2ccccc12)([OH]CC)[OH]CC
• Title of publication: Crystal Structure and Characterization of Manganese(II) Carboxylates: 3D Metal−Organic Frameworks
• Authors of publication: Dobrzyńska, Danuta; Jerzykiewicz, Lucjan B.; Jezierska, Julia; Duczmal, Marek
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 5
• Pages of publication: 1945
• a: 11.4624 ± 0.0008 Å
• b: 9.5205 ± 0.0006 Å
• c: 20.8472 ± 0.0017 Å
• α: 90°
• β: 103.046 ± 0.007°
• γ: 90°
• Cell volume: 2216.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.063
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No