Information card for entry 7036777

Structure parameters

• Chemical name: ONbODipp3Py
• Formula: C45 H64 N Nb O5
• Calculated formula: C45 H64 N Nb O5
• SMILES: [Nb]([n]1ccccc1)(=O)(Oc1c(cccc1C(C)C)C(C)C)(Oc1c(cccc1C(C)C)C(C)C)Oc1c(cccc1C(C)C)C(C)C.O1CCCC1
• Title of publication: Assembly and stabilization of {E(cyclo-P3)2} (E = Sn, Pb) as a bridging ligand spanning two triaryloxyniobium units.
• Authors of publication: Velian, Alexandra; Cossairt, Brandi M.; Cummins, Christopher C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 1891 - 1895
• a: 18.4033 ± 0.0017 Å
• b: 23.17 ± 0.002 Å
• c: 10.0258 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4275 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No