Information card for entry 7051828

Structure parameters

• Formula: C30 H30 Cr2 N2 O14 Ti
• Calculated formula: C30 H30 Cr2 N2 O14 Ti
• 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: 23.5279 ± 0.0014 Å
• b: 15.423 ± 0.001 Å
• c: 14.9208 ± 0.0008 Å
• α: 90°
• β: 100.695 ± 0.002°
• γ: 90°
• Cell volume: 5320.3 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No