Information card for entry 1565486

Structure parameters

• Formula: C74 H88 Br4 Mn4 N2 O20 P4
• Calculated formula: C74 H80 Br4 Mn4 N2 O20 P4
• SMILES: N1=P(c2ccccc2)(O[Mn]23([OH]C)([O]=P1(c1ccccc1)c1ccccc1)[O]1(C)[Mn]45(Oc6c(C(OC)=[O]35)cc(cc6Br)Br)([O]3(C)[Mn]5([O]=P(N=P(O5)(c5ccccc5)c5ccccc5)(c5ccccc5)c5ccccc5)([OH]C)([O]4C)[O]4=C(c5cc(cc(c5O[Mn]134([O]2C)[OH]C)Br)Br)OC)[OH]C)c1ccccc1.CO.CO
• 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: 10.76 ± 0.02 Å
• b: 12.12 ± 0.02 Å
• c: 17.66 ± 0.03 Å
• α: 99.48 ± 0.03°
• β: 98.95 ± 0.03°
• γ: 104.57 ± 0.03°
• Cell volume: 2151 ± 6 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: 0.2799
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.174
• Weighted residual factors for all reflections included in the refinement: 0.2606
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No