Information card for entry 4340659

Structure parameters

• Formula: C26 H40 P2
• Calculated formula: C26 H40 P2
• SMILES: C(Cc1c(P(C(C)C)C(C)C)cccc1)c1c(P(C(C)C)C(C)C)cccc1
• Title of publication: Flexible Coordination of Diphosphine Ligands Leading to cis and trans Pd(0), Pd(II), and Rh(I) Complexes.
• Authors of publication: Comanescu, Cezar C.; Iluc, Vlad M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8517 - 8528
• a: 7.1305 ± 0.0009 Å
• b: 7.2635 ± 0.0009 Å
• c: 12.7304 ± 0.0017 Å
• α: 88.779 ± 0.002°
• β: 78.166 ± 0.002°
• γ: 72.008 ± 0.002°
• Cell volume: 613.14 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No