Information card for entry 7012093

Structure parameters

• Formula: C25 H28 Cl2 Mn N6
• Calculated formula: C25 H28 Cl2 Mn N6
• SMILES: [Mn]12(Cl)(Cl)[n]3c(cccc3C(=[N]2N(C)c2ccccc2)C)C(=[N]1N(C)c1ccccc1)C.N#CC
• Title of publication: From monomeric to polymeric manganese complexes bearing bis(imino)pyridine and related ligands
• Authors of publication: Gibson, Vernon C.; McTavish, Stuart; Redshaw, Carl; Solan, Gregory A.; White, Andrew J. P.; Williams, David J.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 2
• Pages of publication: 221
• a: 13.7366 ± 0.0009 Å
• b: 13.2107 ± 0.001 Å
• c: 15.1806 ± 0.001 Å
• α: 90°
• β: 101.911 ± 0.006°
• γ: 90°
• Cell volume: 2695.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1039
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections: 0.1461
• Weighted residual factors for significantly intense reflections: 0.1213
• Goodness-of-fit parameter for all reflections: 1.051
• Goodness-of-fit parameter for significantly intense reflections: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No