Information card for entry 4500298

Structure parameters

• Formula: C40 H62 Mo8 N20 Na2 O42 Rb2
• Calculated formula: C40 H50 Mo8 N20 Na2 O42 Rb2
• SMILES: C1(=O)N2CN3C(=O)N4CN5C(=O)N6CN7C(=O)N8CN9C(=O)N%10CN1C1(C2(C)N2C(=O)N1CN1C(=O)N(CN%11C(=O)N(CN%12C(=O)N(CN%13C(=O)N(C3(C)C4%13C)C2)C5(C)C6%12C)C7(C)C8%11C)C9(C)C%101C)C.O.O.[Mo]12([O]3[Mo]45(O[Mo]3(=O)(O[Mo]36(=O)(O[Mo]7(O[Mo]8(=O)(O[Mo](=O)(O4)([O]5[Mo]([O]78)(O6)=O)(=O)O2)=O)([O]13)(=O)=O)=O)=O)(=O)=O)=O.[Na+].O.[Rb+].O.O.[Na+].O.[Rb+]
• Title of publication: Effects of Cocrystalline Subunits on the Supramolecular Chemistry of Me10Q[5]: From Simple Inorganic Anions to Cluster Anions
• Authors of publication: Lin, Jingxiang; Lü, Jian; Cao, Minna; Cao, Rong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 3
• Pages of publication: 778
• a: 17.323 ± 0.004 Å
• b: 14.597 ± 0.003 Å
• c: 28.741 ± 0.007 Å
• α: 90°
• β: 100.931 ± 0.004°
• γ: 90°
• Cell volume: 7136 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1581
• Weighted residual factors for all reflections included in the refinement: 0.1755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No