Information card for entry 7044502

Structure parameters

• Formula: C35 H39.5 Cl2 N2.5 Pd Ti
• Calculated formula: C35 H39.5 Cl2 N2.5 Pd 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: 8.8432 ± 0.0003 Å
• b: 12.3352 ± 0.0005 Å
• c: 16.4088 ± 0.0007 Å
• α: 104 ± 0.002°
• β: 93.868 ± 0.001°
• γ: 96.855 ± 0.001°
• Cell volume: 1715.69 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No