Information card for entry 4316817

Structure parameters

• Formula: C64 H54 Mn N7 P2
• Calculated formula: C64 H54 Mn N7 P2
• SMILES: [Mn](#N)(C#N)(C#N)(C#N)(C#N)[n]1cc(ccc1)C.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.n1cc(ccc1)C
• 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: 9.6059 ± 0.0012 Å
• b: 11.6267 ± 0.0014 Å
• c: 25.636 ± 0.003 Å
• α: 93.878 ± 0.003°
• β: 91.339 ± 0.003°
• γ: 105.962 ± 0.003°
• Cell volume: 2743.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1809
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No