Information card for entry 4323882

Structure parameters

• Formula: C36 H36 Mn3 N6 O12
• Calculated formula: C36 H36 Mn3 N6 O12
• SMILES: O1C(C)=[O][Mn]23([n]4ccccc4c4[n]2c2c(cccc2)[nH]4)OC(=[O][Mn]241([O]=C(O[Mn]1([n]5ccccc5c5[n]1c1c(cccc1)[nH]5)([O]=C(O2)C)[O]4C(=O)C)C)[O]3C(=O)C)C
• Title of publication: Manganese(II/II/II) and Manganese(III/II/III) Trinuclear Compounds. Structure and Solid and Solution Behavior
• Authors of publication: Vasilis Tangoulis; Dora A. Malamatari; Kali Soulti; Voula Stergiou; Catherine P. Raptopoulou; Aris Terzis; Themistoklis A. Kabanos; Dimitris P. Kessissoglou
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 4974 - 4983
• a: 13.345 ± 0.006 Å
• b: 8.514 ± 0.004 Å
• c: 9.494 ± 0.004 Å
• α: 75.48 ± 0.01°
• β: 75.83 ± 0.01°
• γ: 76.42 ± 0.01°
• Cell volume: 995 ± 0.8 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: 0.0382
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for all reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.0758
• Goodness-of-fit parameter for all reflections: 1.046
• Goodness-of-fit parameter for significantly intense reflections: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No