Information card for entry 4030524

Structure parameters

• Formula: C42 H100 Ba Nb2 O14
• Calculated formula: C42 Ba Nb2 O14
• SMILES: [Nb]1([OH]C(C)C)(OC(C)C)(OC(C)C)(OC(C)C)[O](C(C)C)[Ba]2([O]1C(C)C)([OH]C(C)C)([OH]C(C)C)[O](C(C)C)[Nb]([OH]C(C)C)([O]2C(C)C)(OC(C)C)(OC(C)C)OC(C)C
• Title of publication: Synthesis and molecular structure of BaNb2(IiPr)12(iPrOH)2: a precursor for Ba-Nb oxide ceramics
• Authors of publication: Boulmaaz, S.; Papiernik, R.; Hubert-Pfalzgraf, L. G.; Daran, J. C.
• Journal of publication: European Journal of Solid State and Inorganic Chemistry
• Year of publication: 1993
• Journal volume: 30
• Pages of publication: 583 - 593
• a: 10.763 ± 0.002 Å
• b: 14.595 ± 0.005 Å
• c: 19.144 ± 0.01 Å
• α: 97.99 ± 0.04°
• β: 96.69 ± 0.03°
• γ: 102.04 ± 0.02°
• Cell volume: 2879.5 ± 1.9 ų
• Ambient diffraction temperature: 173 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 significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0513
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No