Information card for entry 7027582

Structure parameters

• Formula: C40 H90 Nb4 O20
• Calculated formula: C40 H90 Nb4 O20
• SMILES: [Nb]1(OC(C)C)(OC(C)C)(OC(C)C)(OC(C)C)[O]2[Nb]345([O]1CCO3)([O]([Nb]136(OCCO4)([O]5CC[O]1[Nb]([O]6CCO3)(OC(C)C)(OC(C)C)(OC(C)C)OC(C)C)OC(C)C)CC2)OC(C)C
• Title of publication: Hydroxyethylmethacrylate as a source of ethyleneglycolate ligands. Synthesis and characterization of Nb4(μ,η1,η2-OC2H4O)2(μ3,η1,η2-OC2H4O)2(μ-OC2H4O)(OPri)10
• Authors of publication: Hubert-Pfalzgraf, Liliane G.; Abada, Valérie; Vaissermann, Jacqueline
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 15
• Pages of publication: 2407
• a: 17.938 ± 0.005 Å
• b: 17.96 ± 0.005 Å
• c: 9.335 ± 0.005 Å
• α: 78.86 ± 0.03°
• β: 74.24 ± 0.03°
• γ: 78.84 ± 0.02°
• Cell volume: 2808 ± 1.9 ų
• Cell temperature: 161 K
• Ambient diffraction temperature: 161 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.0801
• Goodness-of-fit parameter for significantly intense reflections: 1.1257
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No