Information card for entry 1565485

Structure parameters

• Formula: C64 H56 Cl2 Mn2 N2 O10 P4
• Calculated formula: C64 H56 Cl2 Mn2 N2 O10 P4
• SMILES: C[OH][Mn]123([O]=P(c4ccccc4)(N=P(O1)(c1ccccc1)c1ccccc1)c1ccccc1)[O]1c4ccc(cc4C=[O][Mn]41([O]=P(c1ccccc1)(N=P(O4)(c1ccccc1)c1ccccc1)c1ccccc1)([OH]C)[O]2c1ccc(cc1C=[O]3)Cl)Cl
• Title of publication: Syntheses, molecular structures, and spectroscopic properties of manganese(II)/(III) complexes with tetraphenylimidodiphosphinato and bi-pyridine or salicylaldehyde ligands
• Authors of publication: Qian, Zhe; Zhang, Ying; Jia, Ai-Quan; Shi, Hua-Tian; Zhang, Qian-Feng
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 502
• Pages of publication: 119298
• a: 9.236 ± 0.003 Å
• b: 13.596 ± 0.005 Å
• c: 13.882 ± 0.005 Å
• α: 113.453 ± 0.004°
• β: 97.147 ± 0.005°
• γ: 100.949 ± 0.004°
• Cell volume: 1530.9 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No