Information card for entry 4322247

Structure parameters

• Formula: C48 H64 Mn N18 O8
• Calculated formula: C48 H64 Mn N18 O8
• SMILES: [Mn](N=N#N)(N=N#N)([n]1ccc(cc1)C1=N(C(C([N]1=O)(C)C)(C)C)=O)([n]1ccc(cc1)C1=N(C(C([N]1=O)(C)C)(C)C)=O)([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: 7.177 ± 0.004 Å
• b: 13.767 ± 0.003 Å
• c: 13.928 ± 0.004 Å
• α: 90.2 ± 0.02°
• β: 102.94 ± 0.04°
• γ: 91.86 ± 0.04°
• Cell volume: 1340.4 ± 0.9 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: 0.0795
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No