Information card for entry 7025975

Structure parameters

• Formula: C23 H42 F4 I N P2 Pd
• Calculated formula: C23 H42 F4 I N P2 Pd
• SMILES: c1(c(c(F)nc(c1F)F)F)[Pd](I)([P](C(C)C)(C(C)C)C(C)C)[P](C(C)C)(C(C)C)C(C)C
• Title of publication: Isolation and reactivity of palladium hydrido complexes: intermediates in the hydrodefluorination of pentafluoropyridine.
• Authors of publication: Breyer, David; Braun, Thomas; Penner, Anna
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 32
• Pages of publication: 7513 - 7520
• a: 10.1655 ± 0.0008 Å
• b: 10.3275 ± 0.0009 Å
• c: 14.6934 ± 0.0014 Å
• α: 103.329 ± 0.007°
• β: 100.118 ± 0.007°
• γ: 108.091 ± 0.007°
• Cell volume: 1374.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No