Information card for entry 4335384

Structure parameters

• Formula: C52 H72 Cl2 N4 P2 Pd2
• Calculated formula: C52 H72 Cl2 N4 P2 Pd2
• SMILES: C1=CN(c2c(cccc2C(C)C)C(C)C)[P]2(N1c1c(cccc1C(C)C)C(C)C)[Pd]1(Cl)[P]3(N(C=CN3c3c(cccc3C(C)C)C(C)C)c3c(cccc3C(C)C)C(C)C)[Pd]21Cl
• Title of publication: Donor-Free Phosphenium-Metal(0)-Halides with Unsymmetrically Bridging Phosphenium Ligands
• Authors of publication: Daniela Förster; Jan Nickolaus; Martin Nieger; Zoltán Benkö; Andreas W. Ehlers; Dietrich Gudat
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7699 - 7708
• a: 12.7928 ± 0.0003 Å
• b: 14.4161 ± 0.0004 Å
• c: 14.5891 ± 0.0004 Å
• α: 90°
• β: 104.279 ± 0.001°
• γ: 90°
• Cell volume: 2607.43 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.027
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No