Information card for entry 7020764

Structure parameters

• Formula: C28 H20 Cl2 N2 Pd
• Calculated formula: C28 H20 Cl2 N2 Pd
• SMILES: [Pd]1(Cl)([n]2cccc(c2)C=Cc2ccccc2C#Cc2cccc(c2)C=Cc2[n]1cccc2)Cl
• Title of publication: Conjugated metallorganic macrocycles: opportunities for coordination-driven planarization of bidentate, pyridine-based ligands.
• Authors of publication: Hamm, Danielle C.; Braun, Lindsey A.; Burazin, Alex N.; Gauthier, Amanda M.; Ness, Kendra O.; Biebel, Casey E.; Sauer, Jon S.; Tanke, Robin; Noll, Bruce C.; Bosch, Eric; Bowling, Nathan P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 4
• Pages of publication: 948 - 958
• a: 16.0921 ± 0.0013 Å
• b: 27.479 ± 0.0013 Å
• c: 44.234 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19560 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No