Information card for entry 7049795

Structure parameters

• Formula: C66 H52 Mn4 N13 O16
• Calculated formula: C66 H52 Mn4 N13 O16
• Title of publication: Tetranuclear Mn^II, Co^II, Cu^II and Zn^II grid complexes of an unsymmetrical ditopic ligand: synthesis, structure, redox and magnetic properties.
• Authors of publication: Lakma, Avinash; Hossain, Sayed Muktar; van Leusen, Jan; Kögerler, Paul; Singh, Akhilesh Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 22
• Pages of publication: 7766 - 7777
• a: 20.9896 ± 0.0014 Å
• b: 12.6767 ± 0.0009 Å
• c: 23.7412 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6317 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1608
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No