Information card for entry 7002672

Structure parameters

• Formula: C33 H32 N5 O P Pt
• Calculated formula: C33 H32 N5 O P Pt
• SMILES: [Pd]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)(n2cnc3c(c2=O)ncn3C)[N](Cc2c1cccc2)(C)C
• Title of publication: N1-Coordination in palladium(II) and platinum(II) complexes with 9-methylhypoxanthine: crystal structures and theoretical calculations
• Authors of publication: Ruiz, José; Cutillas, Natalia; Villa, María Dolores; López, Gregorio; Espinosa, Arturo; Bautista, Delia
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 43
• Pages of publication: 9637 - 9644
• a: 8.4884 ± 0.0004 Å
• b: 10.0705 ± 0.0005 Å
• c: 17.4286 ± 0.0008 Å
• α: 103.46 ± 0.002°
• β: 94.548 ± 0.002°
• γ: 90.602 ± 0.002°
• Cell volume: 1443.71 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No