Information card for entry 4318519

Structure parameters

• Formula: C30 H52 Cl Mn3 N12 O13
• Calculated formula: C30 H52 Cl Mn3 N12 O13
• SMILES: [Mn]123456O[N]7[Mn]89%10%11%12O[N]6=C(C(=[N]5CC[N]4=C(C(=[N]3O[Mn]345(O[N]%12=C(C(=[N]%11CC[N]%10=C(C=7C)C)C)C)([O]29)[N](O8)=C(C(=[N]3CC[N]4=C(C(=[N]5O1)C)C)C)C)C)C)C)C.Cl(=O)(=O)(=O)[O-].O.O
• Title of publication: A Novel Carboxylate-Free Ferromagnetic Trinuclear μ3-Oxo-Manganese(III) Complex with Distorted Pentagonal-Bipyramidal Metal Centers
• Authors of publication: Subramanya Gupta Sreerama; Samudranil Pal
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4843 - 4845
• a: 8.6591 ± 0.0007 Å
• b: 14.8224 ± 0.0009 Å
• c: 16.676 ± 0.0014 Å
• α: 84.512 ± 0.008°
• β: 81.976 ± 0.009°
• γ: 85.358 ± 0.006°
• Cell volume: 2104.7 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0489
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No