Information card for entry 1519353

Structure parameters

• Formula: C20.25 H18.5 Cl1.5 N2 P Pd S
• Calculated formula: C20.25 H18.5 Cl1.5 N2 P Pd S
• SMILES: [Pd]1(Cl)([P](Nc2sc3c([n]12)cccc3)(c1ccccc1)c1ccccc1)C.ClCCl
• Title of publication: C40H36Cl2N4P2Pd2S2 . 0.5(CH2Cl2)
• Authors of publication: Smith, Martin B.; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2001
• Pages of publication: 1025
• a: 9.7364 ± 0.0019 Å
• b: 13.149 ± 0.003 Å
• c: 15.993 ± 0.003 Å
• α: 90.42 ± 0.03°
• β: 99.76 ± 0.03°
• γ: 91.45 ± 0.03°
• Cell volume: 2017.1 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1197
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No