Information card for entry 7003988

Structure parameters

• Formula: C24 H24 Mo8 N4 O26
• Calculated formula: C24 H24 Mo8 N4 O26
• SMILES: c1(cccc[nH+]1)C1C(C(C1c1cc[nH+]cc1)c1cccc[nH+]1)c1cc[nH+]cc1.O=[Mo]123([O]456[Mo]7(O1)(=O)(=O)O[Mo]185([O]5[Mo]6(O7)([O]6[Mo]794(=O)[O]2[Mo]2(O[Mo]4(O7)([O]192[Mo]56(=O)(O4)=O)(=O)=O)([O]38)(=O)=O)(=O)=O)=O)=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: 9.704 ± 0.002 Å
• b: 10.07 ± 0.002 Å
• c: 10.482 ± 0.002 Å
• α: 98.8 ± 0.004°
• β: 108.104 ± 0.006°
• γ: 99.049 ± 0.005°
• Cell volume: 939 ± 0.3 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: 0.0454
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No