Information card for entry 7025973

Structure parameters

• Formula: C48 H75 F4 N P2 Pd
• Calculated formula: C48 H75 F4 N P2 Pd
• SMILES: c1(c(c(F)nc(c1F)F)F)[PdH]([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.c1(ccccc1)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: 13.9664 ± 0.0009 Å
• b: 16.9951 ± 0.0009 Å
• c: 9.6839 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2298.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No