Information card for entry 1565484

Structure parameters

• Formula: C64 H58 Mn2 N2 O10 P4
• Calculated formula: C64 H58 Mn2 N2 O10 P4
• SMILES: c1(ccccc1)P1(=NP(c2ccccc2)(=[O][Mn]23(O1)([OH]C)[O]1c4ccccc4C=[O][Mn]41([O]=P(c1ccccc1)(N=P(c1ccccc1)(O4)c1ccccc1)c1ccccc1)([OH]C)[O]2c1ccccc1C=[O]3)c1ccccc1)c1ccccc1
• 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: 16.101 ± 0.003 Å
• b: 9.8089 ± 0.0016 Å
• c: 19.171 ± 0.003 Å
• α: 90°
• β: 95.106 ± 0.002°
• γ: 90°
• Cell volume: 3015.7 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1301
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No