Information card for entry 1520416

Structure parameters

• Formula: C22 H25 Cl N5 O P Pd
• Calculated formula: C22 H25 Cl N5 O P Pd
• SMILES: C1C(=O)N(c2ccccc2C2c3ccccc3[Pd]([N]1=2)([P]12CN3CN(C1)CN(C2)C3)Cl)C
• Title of publication: C22H25ClN5OPPd
• Authors of publication: Spencer, John; Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2009
• Pages of publication: 641
• a: 8.8363 ± 0.0004 Å
• b: 10.2749 ± 0.0003 Å
• c: 11.6567 ± 0.0005 Å
• α: 86.643 ± 0.003°
• β: 86.468 ± 0.002°
• γ: 86.435 ± 0.002°
• Cell volume: 1052.69 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0686
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No