Information card for entry 7203172

Structure parameters

• Formula: C15 H17 Cl Mn N2 O5
• Calculated formula: C15 H17 Cl Mn N2 O5
• SMILES: [Mn]12([OH2])([OH2])(OC(=O)C([OH]1)C)[n]1cccc3c1c1[n]2cccc1cc3.[Cl-]
• Title of publication: Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline
• Authors of publication: Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 167
• a: 7.9432 ± 0.0007 Å
• b: 9.6697 ± 0.0008 Å
• c: 22.3743 ± 0.0019 Å
• α: 90°
• β: 92.791 ± 0.002°
• γ: 90°
• Cell volume: 1716.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0631
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No