Information card for entry 4346621

Structure parameters

• Formula: C56 H50 Cl4 N10 Ti2
• Calculated formula: C56 H50 Cl4 N10 Ti2
• Title of publication: Electronic Structure and Reactivity of a Well-Defined Mononuclear Complex of Ti(II).
• Authors of publication: Wijeratne, Gayan B.; Zolnhofer, Eva M.; Fortier, Skye; Grant, Lauren N.; Carroll, Patrick J.; Chen, Chun-Hsing; Meyer, Karsten; Krzystek, J.; Ozarowski, Andrew; Jackson, Timothy A.; Mindiola, Daniel J.; Telser, Joshua
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 21
• Pages of publication: 10380 - 10397
• a: 17.1277 ± 0.0005 Å
• b: 15.238 ± 0.0005 Å
• c: 20.9887 ± 0.0006 Å
• α: 90°
• β: 92.716 ± 0.002°
• γ: 90°
• Cell volume: 5471.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No