Information card for entry 7002633

Structure parameters

• Formula: C11 H14 N4 O5
• Calculated formula: C11 H14 N4 O5
• SMILES: N1(C)C(=O)NC(=O)C(=C1)CC1C(=O)NC(=O)N(C)C=1.O
• Title of publication: Hybrids between classical and metallacalix[4]arenes based on uracil and cis-PtIIL2 entities (L = P(Ph)3 or L2 = 2,2′-bipyridine)
• Authors of publication: Das, Neeladri; Sanz Miguel, Pablo J.; Khutia, Anupam; Lazar, Martina; Lippert, Bernhard
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 42
• Pages of publication: 9120
• a: 7.696 ± 0.0015 Å
• b: 8.356 ± 0.0017 Å
• c: 10.801 ± 0.002 Å
• α: 101.54 ± 0.03°
• β: 90.19 ± 0.03°
• γ: 112.92 ± 0.03°
• Cell volume: 624.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2041
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No