Information card for entry 7009141

Structure parameters

• Formula: C36 H50 Cd N4 O6
• Calculated formula: C36 H50 Cd N4 O6
• SMILES: c12c(C(=[O][Cd]3(O1)([OH]CC)(Oc1n(nc(c1C(CC(C)(C)C)=[O]3)C)c1ccccc1)[OH]CC)CC(C)(C)C)c(C)nn2c1ccccc1
• Title of publication: Novel bis(acylpyrazolonato)cadmium(II) derivatives and their reactivity toward aromatic and aliphatic N2-donor ligands
• Authors of publication: Pettinari, Claudio; Marchetti, Fabio; Cingolani, Augusto; Pettinari, Riccardo; Troyanov, Sergei I.; Drozdov, Andrei
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 5
• Pages of publication: 831
• a: 8.992 ± 0.002 Å
• b: 10.358 ± 0.003 Å
• c: 10.678 ± 0.003 Å
• α: 85.69 ± 0.03°
• β: 71.72 ± 0.03°
• γ: 74.19 ± 0.03°
• Cell volume: 908.6 ± 0.5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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 all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for all reflections: 0.1101
• Weighted residual factors for significantly intense reflections: 0.0892
• Goodness-of-fit parameter for all reflections: 1.14
• Goodness-of-fit parameter for significantly intense reflections: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No