Information card for entry 7706125

Structure parameters

• Formula: C8 H40 Mo5 N6 O27 P2
• Calculated formula: C8 H40 Mo5 N6 O27 P2
• SMILES: [Mo]123([O]4[Mo]5(OP6(=O)[O]7[Mo]8(OP4(=O)[O]4[Mo]([O]16)(O2)(=O)(=O)O[Mo]74(=O)(O8)=O)(=O)(=O)O5)(=O)(=O)O3)(=O)=O.O.O.O.O.[NH3+]CC[NH2+]CC[NH3+].[NH3+]CC[NH2+]CC[NH3+]
• Title of publication: Proton transfer in polyamine-P₂Mo₅ model adducts: exploring the effect of polyamine cations on their proton conductivity.
• Authors of publication: Zhang, Shan; Lu, Ying; Sun, Xiuwei; Li, Zhuo; Dang, Tianyi; Liu, Shuxia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 47
• Pages of publication: 17301 - 17309
• a: 10.3242 ± 0.0014 Å
• b: 10.9734 ± 0.0015 Å
• c: 15.718 ± 0.002 Å
• α: 95.654 ± 0.006°
• β: 95.813 ± 0.005°
• γ: 111.47 ± 0.004°
• Cell volume: 1630.9 ± 0.4 ų
• Cell temperature: 113.09 K
• Ambient diffraction temperature: 113.09 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: 0.0305
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No