Information card for entry 1571650

Structure parameters

• Formula: C70 H134 Cl4 Mo9 N9 O31 P
• Calculated formula: C70 H134 Cl4 Mo9 N9 O31 P
• SMILES: P123=[O]4[Mo]567(O[Mo]89(=O)([O]1[Mo]1%10(O8)(O[Mo]8%11(=O)([O]2[Mo]2(O8)(O[Mo]4(=O)(O5)(O[Mo]45([O]83[Mo](O6)(O9)(O[Mo]8(O1)(O%11)(O4)=O)(O5)=O)(O2)=O)=O)(=O)[n]1ccn(c1)Cc1cc(Cn2cc[n]%10c2)cc(Cn2cc[n]7c2)c1)=O)=O)=O)=O.C(CCl)Cl.C(CCl)Cl.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Self-assembled molecular hybrids comprising lacunary polyoxometalates and multidentate imidazole ligands.
• Authors of publication: Sun, Haoran; Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 24
• Pages of publication: 9281 - 9286
• a: 18.9192 ± 0.0002 Å
• b: 25.1964 ± 0.0004 Å
• c: 43.0574 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20525.3 ± 0.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No