Information card for entry 4312548

Structure parameters

• Chemical name: aqua[N,N-bis-(2-(6-methyl)pyridylmethyl)glicinate]manganese(II)
• Formula: C16 H20 F6 Mn N3 O3 P
• Calculated formula: C16 H20 F6 Mn N3 O3 P
• SMILES: [Mn]123(OC(=O)C[N]1(Cc1[n]2c(ccc1)C)Cc1[n]3c(ccc1)C)([OH2])[O]=C1O[Mn]23([OH2])[N](Cc4[n]2c(ccc4)C)(C1)Cc1[n]3c(ccc1)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Structural and Magnetic Properties of Carboxylato-Bridged Manganese(II) Complexes Involving Tetradentate Ligands: Discrete Complex and 1D Polymers. Dependence of J on the Nature of the Carboxylato Bridge
• Authors of publication: Stéphanie Durot; Clotilde Policar; Giorgio Pelosi; Franco Bisceglie; Talal Mallah; Jean-Pierre Mahy
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8072 - 8080
• a: 9.993 ± 0.002 Å
• b: 13.285 ± 0.003 Å
• c: 16.04 ± 0.003 Å
• α: 90 ± 0°
• β: 90 ± 0°
• γ: 90 ± 0°
• Cell volume: 2129.4 ± 0.8 ų
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n a m
• Hall space group symbol: -P 2c 2n
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections: 0.1797
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No