Information card for entry 4311051

Structure parameters

• Formula: C8 H18 N8 O7 Pd
• Calculated formula: C8 H18 N8 O7 Pd
• SMILES: [Pd]12([NH2]CC[NH]1CC[NH2]2)[N]1=C(NC=CC1=O)N.O=N(=O)[O-].O=N(=O)[O-]
• Title of publication: Complex Formation of Isocytosine Tautomers with PdII and PtII
• Authors of publication: Deepali Gupta; Markus Huelsekopf; Marta Morell Cerdà; Ralf Ludwig; Bernhard Lippert
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3386 - 3393
• a: 6.631 ± 0.0013 Å
• b: 10.651 ± 0.002 Å
• c: 12.214 ± 0.002 Å
• α: 65.8 ± 0.03°
• β: 87.08 ± 0.03°
• γ: 74.07 ± 0.03°
• Cell volume: 754.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for all reflections included in the refinement: 0.0447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No