Information card for entry 7011284

Structure parameters

• Formula: C10 H25 Mn N7 O6
• Calculated formula: C10 H25 Mn N7 O6
• SMILES: [Mn]1234([N]5(CC[N]1(CC[NH]2CC5)CC[NH2]4)CC[NH2]3)ON(=O)=O.N(=O)(=O)[O-]
• Title of publication: Synthesis of asymmetric derivatives of 1,4,7-triazacyclononane and trigonal prismatic Mn(II) complexes
• Authors of publication: Lorenzo Tei; Alexander J. Blake; Claire Wilson; Martin Schröder
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 7
• Pages of publication: 1247 - 1249
• a: 7.8382 ± 0.0007 Å
• b: 14.392 ± 0.001 Å
• c: 14.613 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1648.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No