Information card for entry 7011024

Structure parameters

• Formula: C48 H74 N4 O4 Sn2
• Calculated formula: C48 H74 N4 O4 Sn2
• SMILES: O=C(CCC(=O)c1c(n(c2ccccc2)nc1C)O[Sn](CCCC)(CCCC)CCCC)c1c(n(c2ccccc2)nc1C)O[Sn](CCCC)(CCCC)CCCC
• Title of publication: The interaction of organotin(IV) acceptors with 1,4-bis(5-hydroxy-1-phenyl-3-methyl-1H-pyrazol-4-yl)butane-1,4-dione
• Authors of publication: Claudio Pettinari; Fabio Marchetti; Riccardo Pettinari; Augusto Cingolani; Andrei Drozdov; Sergei Troyanov
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 2
• Pages of publication: 188 - 194
• a: 16.3 ± 0.003 Å
• b: 10.425 ± 0.002 Å
• c: 16.598 ± 0.003 Å
• α: 90°
• β: 117.14 ± 0.03°
• γ: 90°
• Cell volume: 2509.9 ± 1.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for all reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.0693
• Goodness-of-fit parameter for all reflections: 0.936
• Goodness-of-fit parameter for significantly intense reflections: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No