Information card for entry 4083129

Structure parameters

• Formula: C68 H74 N8 O12 P2 Te5
• Calculated formula: C68 H74 N8 O12 P2 Te5
• SMILES: [Te]12(OP3(=[O][Te]4(O[Te]5(=O)(O2)O[Te]([O]=P2(O[Te](O1)(c1ccccc1N=Nc1ccccc1)O5)C(C)(C(C2(C)C)C)C)(O4)c1c(N=Nc2ccccc2)cccc1)c1c(N=Nc2ccccc2)cccc1)C(C)(C)C(C3(C)C)C)[c]1c(N=Nc2ccccc2)cccc1.C1COCC1
• Title of publication: Reactions of RTeCl3(R = 2-phenylazophenyl) with Diorganophosphinic Acids. Te‒C Bond Cleavage and Stabilization of the Te═O Motif in an Umbrella-Shaped Te5O11P2Multi-metallacyclic Framework
• Authors of publication: Metre, Ramesh K.; Kundu, Subrata; Sahoo, Dipankar; Chandrasekhar, Vadapalli
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 9
• Pages of publication: 2380
• a: 14.199 ± 0.005 Å
• b: 16.461 ± 0.005 Å
• c: 17.911 ± 0.005 Å
• α: 113.154 ± 0.005°
• β: 94.902 ± 0.005°
• γ: 107.696 ± 0.005°
• Cell volume: 3565.2 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0798
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No