Information card for entry 4340660

Structure parameters

• Formula: C25 H38 Cl2 P2 Pd
• Calculated formula: C25 H38 Cl2 P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P](c2c(Cc3c([P]1(C(C)C)C(C)C)cccc3)cccc2)(C(C)C)C(C)C
• 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: 10.3224 ± 0.0008 Å
• b: 15.9598 ± 0.0013 Å
• c: 16.8281 ± 0.0014 Å
• α: 90°
• β: 102.437 ± 0.001°
• γ: 90°
• Cell volume: 2707.3 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0687
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No