Information card for entry 4323881

Structure parameters

• Formula: C36 H60 Cl2 Mn3 N2 O20
• Calculated formula: C36 H60 Cl2 Mn3 N2 O20
• SMILES: [N]12=Cc3c(O[Mn]452([O](CC1(CO)C)[Mn]12([O]=C(O[Mn]67([N](=Cc8c(ccc(c8)Cl)O6)C(C[O]27)(CO)C)([O]=C(O1)C)[OH]C)C)([O]=C(O4)C)OC(=[O]5)C)[OH]C)ccc(c3)Cl.CO.CO.CO.CO
• 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: 9.272 ± 0.007 Å
• b: 11.046 ± 0.008 Å
• c: 12.635 ± 0.009 Å
• α: 76.78 ± 0.02°
• β: 81.84 ± 0.02°
• γ: 85.9 ± 0.02°
• Cell volume: 1246 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections: 0.1004
• Weighted residual factors for significantly intense reflections: 0.0941
• Goodness-of-fit parameter for all reflections: 1.035
• Goodness-of-fit parameter for significantly intense reflections: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No