Information card for entry 7012005

Structure parameters

• Formula: C32 H56 Al2 Ni O12
• Calculated formula: C32 H56 Al2 Ni O12
• SMILES: C([O]1[Al]23(OC(=CC(=[O]2)C)C)([O](C(C)C)[Ni]21[O](C(C)C)[Al]14([O]=C(C=C(O1)C)C)([O]=C(C=C(O4)C)C)[O]2C(C)C)[O]=C(C=C(O3)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 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: 15.479 ± 0.003 Å
• b: 17.48 ± 0.004 Å
• c: 14.666 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3968.2 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No