Information card for entry 4001056

Structure parameters

• Formula: C38 H70 Br2 P4 Pd2
• Calculated formula: C38 H70 Br2 P4 Pd2
• SMILES: CC[P]([Pd]([P](CC)(CC)CC)(c1ccc(cc1)/C=C/c1ccc(cc1)[Pd]([P](CC)(CC)CC)([P](CC)(CC)CC)Br)Br)(CC)CC
• Title of publication: Positive Constructs: Charges Localized on Surface-Confined Organometallic Oligomers
• Authors of publication: Altman, Marc; Zenkina, Olena V.; Ichiki, Takahiko; Iron, Mark A.; Evmenenko, Guennadi; Dutta, Pulak; van der Boom, Milko E.
• Journal of publication: Chemistry of Materials
• Year of publication: 2009
• Journal volume: 21
• Journal issue: 19
• Pages of publication: 4676
• a: 9.4541 ± 0.0003 Å
• b: 16.3285 ± 0.0005 Å
• c: 15.0644 ± 0.0005 Å
• α: 90°
• β: 90.212 ± 0.001°
• γ: 90°
• Cell volume: 2325.49 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No