Information card for entry 4322246

Structure parameters

• Formula: C38 H46 Mn N6 O10
• Calculated formula: C38 H46 Mn N6 O10
• SMILES: C(=O)(c1ccccc1)O[Mn]([OH2])([OH2])(OC(=O)c1ccccc1)([n]1ccc(cc1)C1=N(=O)C(C([N]1=O)(C)C)(C)C)[n]1ccc(cc1)C1=N(=O)C(C([N]1=O)(C)C)(C)C
• Title of publication: Manganese (II) Coordination Complexes Involving Nitronyl Nitroxide Radicals
• Authors of publication: Mohammed Fettouhi; Mazen Khaled; Abdel Waheed; Stéphane Golhen; Lahcène Ouahab; Jean-Pascal Sutter; Olivier Kahn
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 3967 - 3971
• a: 6.8588 ± 0.0009 Å
• b: 11.271 ± 0.002 Å
• c: 13.978 ± 0.006 Å
• α: 88.88 ± 0.02°
• β: 89.38 ± 0.02°
• γ: 78.279 ± 0.014°
• Cell volume: 1057.8 ± 0.5 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: 0.0748
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No