Information card for entry 7044503

Structure parameters

• Formula: C34 H38 N2 Ti
• Calculated formula: C34 H38 N2 Ti
• Title of publication: A trans-bidentate bis-pyridinyl ligand with a transition metal hinge
• Authors of publication: Vieira, Noah Christopher; Pienkos, Jared A.; McMillen, Colin; Myers, Alexis R.; Clay, Alyssa Paige; Wagenknecht, Paul S.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.3807 ± 0.0012 Å
• b: 16.385 ± 0.002 Å
• c: 16.9043 ± 0.0019 Å
• α: 90°
• β: 101.544 ± 0.004°
• γ: 90°
• Cell volume: 2817.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0893
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1756
• Weighted residual factors for all reflections included in the refinement: 0.1922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No