Information card for entry 4316819

Structure parameters

• Formula: C57 H44 As2 Mn N5 O6
• Calculated formula: C57 H44 As2 Mn N5 O6
• SMILES: [Mn]1(#N)(C#N)(C#N)(C#N)[n]2ccccc2C(=O)O1.[As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O.O.O.O
• Title of publication: Mechanism for the Formation of Substituted Manganese(V) Cyanidonitrido Complexes: Crystallographic and Kinetic Study of the Substitution Reactions of trans-[MnN(H2O)(CN)4]2- with Monodentate Pyridine and Bidentate Pyridine-Carboxylate Ligands
• Authors of publication: Hendrik J. van der Westhuizen; Reinout Meijboom; Marietjie Schutte; Andreas Roodt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9599 - 9608
• a: 13.535 ± 0.002 Å
• b: 13.79 ± 0.002 Å
• c: 17.08 ± 0.003 Å
• α: 87.798 ± 0.003°
• β: 69.375 ± 0.003°
• γ: 61.45 ± 0.003°
• Cell volume: 2587.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1502
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 0.838
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No