Information card for entry 4500346

Structure parameters

• Formula: C60 H144 Na4 O32 Ta4
• Calculated formula: C60 H132 Na4 O32 Ta4
• SMILES: [Ta]12345[O]([Ta]678([O]1[Na]([O]6C(C(O7)(C)C)(C)C)([O]5C(C(O3)(C)C)(C)C)([OH]C)([OH]C)[OH]C)OC(C(O8)(C)C)(C)C)[Na]1([O]4C(C)(C(O2)(C)C)C)([O](C)[Na]2([O]3[Ta]456([O]7[Ta]893([O](C(C(O8)(C)C)(C)C)[Na]7([O]6C(C(O4)(C)C)(C)C)([OH]C)([OH]C)[OH]C)OC(C(O9)(C)C)(C)C)OC(C([O]25)(C)C)(C)C)([O]1C)([OH]C)[OH]C)([OH]C)[OH]C
• Title of publication: Crystal Engineering of Nanomorphology for Complex Oxide Materials via Thermal Decomposition of Metal−Organic Frameworks. Case Study of Sodium Tantalate
• Authors of publication: Nunes, Giovana G.; Seisenbaeva, Gulaim A.; Kessler, Vadim G.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 1238
• a: 11.579 ± 0.002 Å
• b: 12.429 ± 0.003 Å
• c: 16.887 ± 0.004 Å
• α: 98.589 ± 0.004°
• β: 92.109 ± 0.004°
• γ: 111.937 ± 0.003°
• Cell volume: 2217.7 ± 0.8 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: 0.055
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No