Information card for entry 1519341

Structure parameters

• Formula: C16 H16 Cl N2 P Pd S
• Calculated formula: C16 H16 Cl N2 P Pd S
• SMILES: c1csc2[n]1[Pd](C)([P](c1ccccc1)(c1ccccc1)N2)Cl
• Title of publication: C16H16ClN2PPdS
• 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: 1024
• a: 11.628 ± 0.002 Å
• b: 16.911 ± 0.003 Å
• c: 17.514 ± 0.004 Å
• α: 90°
• β: 94.92 ± 0.03°
• γ: 90°
• Cell volume: 3431.3 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No