Information card for entry 7012002

Structure parameters

• Formula: C42 H98 Co2 O14 Ta2
• Calculated formula: C42 H98 Co2 O14 Ta2
• SMILES: C([O]1[Co]2([O]([Ta]1(OC(C)C)(OC(C)C)(OC(C)C)OC(C)C)C(C)C)[O](C(C)C)[Co]1([O](C(C)C)[Ta]([O]1C(C)C)(OC(C)C)(OC(C)C)(OC(C)C)OC(C)C)[O]2C(C)C)(C)C
• Title of publication: Interaction of some divalent metal acetylacetonates with Al, Ti, Nb and Ta isopropoxides. Factors influencing the formation and stability of heterometallic alkoxide complexes
• Authors of publication: Kessler, Vadim G.; Gohil, Suresh; Parola, Stephane
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 4
• Pages of publication: 544 - 550
• a: 9.586 ± 0.006 Å
• b: 10.551 ± 0.006 Å
• c: 15.938 ± 0.01 Å
• α: 83.624 ± 0.015°
• β: 78.361 ± 0.013°
• γ: 68.94 ± 0.014°
• Cell volume: 1472.1 ± 1.6 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: 0.179
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.1671
• Weighted residual factors for all reflections included in the refinement: 0.1893
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No