Information card for entry 7012001

Structure parameters

• Formula: C40 H84 Co2 O14 Ti2
• Calculated formula: C40 H84 Co2 O14 Ti2
• SMILES: C1(C)=CC(C)=[O][Ti]2([O](C(C)C)[Co]3([O]2C(C)C)[O](C(C)C)[Co]2([O](C(C)C)[Ti]4(OC(C)C)([O]=C(C)C=C(C)O4)(OC(C)C)[O]2C(C)C)[O]3C(C)C)(OC(C)C)(O1)OC(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 complexesElectronic supplementary information (ESI) available: synthesis details for 5‒7; microanalysis data for 1‒9; tables of selected bond lengths and angles for 1‒5 and 7‒9; variable temperature 1H NMR spectra for 7 and 8; UV-Vis spectrum of 6 in toluene after various times. See http://www.rsc.org/suppdata/dt/b2/b206662a/
• 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
• a: 9.953 ± 0.005 Å
• b: 10.004 ± 0.006 Å
• c: 15.639 ± 0.01 Å
• α: 83.275 ± 0.009°
• β: 79.323 ± 0.015°
• γ: 64.758 ± 0.009°
• Cell volume: 1382.8 ± 1.4 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: 0.1166
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 0.838
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No