Information card for entry 7035351

Structure parameters

• Chemical name: unk
• Formula: C30 H64 Mn4 N4 O34
• Calculated formula: C30 H64 Mn4 N4 O34
• SMILES: c12c(C[N]34CC5O[Mn]64(OC(=O)C3)([O]=C(O[Mn]([O]=C3C[N]47Cc8c(cccc8)N8CC(=O)O[Mn]7(O3)(OC(=O)C4)([O]=C(O[Mn]([O]=5)([OH2])([OH2])([OH2])[OH2])C8)[OH2])([OH2])([OH2])([OH2])[OH2])CN1CC(=O)O6)[OH2])cccc2.O.O.O.O.O.O.O.O
• Title of publication: A water-soluble and water-coordinated Mn(ii) complex: synthesis, characterization and phantom MRI image study.
• Authors of publication: Phukan, Bedika; Patel, Anant B.; Mukherjee, Chandan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 29
• Pages of publication: 12990 - 12994
• a: 10.4029 ± 0.0008 Å
• b: 11.7222 ± 0.0008 Å
• c: 11.8865 ± 0.0007 Å
• α: 71.602 ± 0.006°
• β: 64.303 ± 0.007°
• γ: 77.4 ± 0.006°
• Cell volume: 1233.77 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0583
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No