Information card for entry 7011025

Structure parameters

• Formula: C60 H50 N4 O4 Sn2
• Calculated formula: C60 H50 N4 O4 Sn2
• SMILES: C(C1=[O][Sn](Oc2c1c(C)nn2c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)CC1=[O][Sn](Oc2c1c(C)nn2c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 15.084 ± 0.004 Å
• b: 16.32 ± 0.003 Å
• c: 10.821 ± 0.003 Å
• α: 90°
• β: 109.78 ± 0.03°
• γ: 90°
• Cell volume: 2506.6 ± 1.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.1313
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections: 0.1598
• Weighted residual factors for significantly intense reflections: 0.1211
• Goodness-of-fit parameter for all reflections: 0.959
• Goodness-of-fit parameter for significantly intense reflections: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No