Information card for entry 7004100

Structure parameters

• Common name: 3 in paper
• Formula: C28 H40 P2 Pd
• Calculated formula: C28 H40 P2 Pd
• SMILES: [Pd]1[P](c2cccc3C4CCC(c23)c2c([P]1(C(C)C)C(C)C)cccc42)(C(C)C)C(C)C
• Title of publication: Isolation and characterization of stable, distinctly bent, trans-chelated bisphosphine palladium(0) species
• Authors of publication: Schnetz, Thomas; Röder, Marc; Rominger, Frank; Hofmann, Peter
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 17
• Pages of publication: 2238 - 2240
• a: 10.5686 ± 0.0001 Å
• b: 11.7114 ± 0.0001 Å
• c: 11.9672 ± 0.0001 Å
• α: 75.564 ± 0.001°
• β: 68.954 ± 0.001°
• γ: 89.186 ± 0.001°
• Cell volume: 1334.1 ± 0.02 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0909
• 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: No
• Has Fobs: No