Information card for entry 7003987

Structure parameters

• Formula: C24 H24 Mo8 N4 O26
• Calculated formula: C24 H24 Mo8 N4 O26
• SMILES: c1(cc[nH+]cc1)C1C(c2cc[nH+]cc2)C(C1c1cc[nH+]cc1)c1cc[nH+]cc1.O=[Mo]123(=O)O[Mo]45(=O)(=O)[O]672[Mo]289(=O)[O]%10%11%12[Mo]%13%14(=O)(=O)[O]2[Mo]7(=O)(=O)(O4)[O]%13[Mo]6%10(O5)(=O)[O]3[Mo]%11(=O)([O]18)(=O)O[Mo]%12(=O)(O9)(O%14)=O
• Title of publication: A non-photochemical route for the regioselective preparation of rtct-pyridylcyclobutanes via hydrothermal isomerisation promoted by polymolybdates
• Authors of publication: Briceño, Alexander; Fulgence, Aaron; Hill, Yennifer; Atencio, Reinaldo
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 25
• Pages of publication: 3275 - 3278
• a: 9.62 ± 0.002 Å
• b: 10.087 ± 0.002 Å
• c: 10.578 ± 0.003 Å
• α: 100.807 ± 0.005°
• β: 106.923 ± 0.004°
• γ: 97.085 ± 0.005°
• Cell volume: 947.1 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No