Information card for entry 7012008

Structure parameters

• Formula: C26 H44 Ni2 O10
• Calculated formula: C26 H42 Ni2 O10
• SMILES: [OH](C(C)C)[Ni]123([O]=C(C=C([O]1[Ni]14([OH]C(C)C)([O]=C(C=C([O]21)C)C)OC(=CC(=[O]4)C)C)C)C)OC(=CC(=[O]3)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: 9.335 ± 0.007 Å
• b: 8.508 ± 0.006 Å
• c: 19.213 ± 0.014 Å
• α: 90°
• β: 97.51 ± 0.02°
• γ: 90°
• Cell volume: 1512.8 ± 1.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1354
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 0.871
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No