Information card for entry 4345481

Structure parameters

• Formula: C22.5 H33 B Cl2 N9 Ti
• Calculated formula: C22.5 H33 B Cl2 N9 Ti
• Title of publication: Titanium(III) Member of the Family of Trigonal Building Blocks with Scorpionate and Cyanide Ligands.
• Authors of publication: Brown, Andrew; Saber, Mohamed; Van den Heuvel, Willem; Schulte, Kelsey; Soncini, Alessandro; Dunbar, Kim R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 1031 - 1035
• a: 20.462 ± 0.004 Å
• b: 10.763 ± 0.002 Å
• c: 25.135 ± 0.005 Å
• α: 90°
• β: 97.57 ± 0.03°
• γ: 90°
• Cell volume: 5487.3 ± 1.9 ų
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• 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: 0.0604
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0733
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No