Information card for entry 7012003

Structure parameters

• Formula: C36 H84 Nb2 Ni O12
• Calculated formula: C36 Nb2 Ni O12
• 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: 29.509 ± 0.007 Å
• b: 9.536 ± 0.002 Å
• c: 18.973 ± 0.005 Å
• α: 90°
• β: 107.79 ± 0.004°
• γ: 90°
• Cell volume: 5084 ± 2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1096
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1712
• Weighted residual factors for all reflections included in the refinement: 0.192
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No