Information card for entry 7051826

Structure parameters

• Formula: C32 H48 Cr2 O18 Ti2
• Calculated formula: C32 H48 Cr2 O18 Ti2
• Title of publication: Titanoxycarbene complexes of Ti(iv) with O- and N-donor ligands
• Authors of publication: Nogai, Stefan D.; Schuster, Oliver; Bruce, Jocelyn; Raubenheimer, Helgard G.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 3
• Pages of publication: 540
• a: 10.4677 ± 0.0006 Å
• b: 10.9006 ± 0.0006 Å
• c: 11.5402 ± 0.0007 Å
• α: 87.771 ± 0.001°
• β: 67.023 ± 0.001°
• γ: 70.163 ± 0.001°
• Cell volume: 1133.7 ± 0.11 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0375
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No