Information card for entry 4322248

Structure parameters

• Formula: C48 H64 Mn N18 O4
• Calculated formula: C48 H64 Mn N18 O4
• SMILES: [n]1(ccc(cc1)C1[N](=O)C(C(N=1)(C)C)(C)C)[Mn](N=N#N)(N=N#N)([n]1ccc(cc1)C1[N](C(C(N=1)(C)C)(C)C)=O)([n]1ccc(cc1)C1[N](C(C(N=1)(C)C)(C)C)=O)[n]1ccc(cc1)C1[N](=O)C(C(N=1)(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: 7.0037 ± 0.0019 Å
• b: 13.8849 ± 0.0013 Å
• c: 14.0362 ± 0.0019 Å
• α: 90.34 ± 0.01°
• β: 101.417 ± 0.018°
• γ: 92.919 ± 0.013°
• Cell volume: 1336 ± 0.4 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: 0.0945
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No