Information card for entry 7702521

Structure parameters

• Formula: C26 H52 Mn2 N8 O10
• Calculated formula: C26 H52 Mn2 N8 O10
• Title of publication: Thermodynamic and structural aspects of manganese(II) complexes with polyaminopolycarboxylic ligands based upon 1,4,7,10-tetraazacyclododecane (cyclen). Crystal structure of dimeric [MnL]2·2CH3OH containing the new ligand 1,4,7,10-tetraazacyclododecane-1,4-diacetate
• Authors of publication: Bianchi, Antonio; Calabi, Luisella; Giorgi, Claudia; Losi, Pietro; Mariani, Palma; Palano, Daniela; Paoli, Paola; Rossi, Patrizia; Valtancoli, Barbara
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 6
• Pages of publication: 917
• a: 8.869 ± 0.001 Å
• b: 12.965 ± 0.002 Å
• c: 14.165 ± 0.002 Å
• α: 90°
• β: 96.01 ± 0.01°
• γ: 90°
• Cell volume: 1619.8 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections: 0.2174
• Weighted residual factors for significantly intense reflections: 0.2104
• Goodness-of-fit parameter for all reflections: 1.036
• Goodness-of-fit parameter for significantly intense reflections: 1.072
• Diffraction radiation wavelength: 0.71068 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No