Information card for entry 7011023

Structure parameters

• Formula: C64 H76 N8 O8 Sn2
• Calculated formula: C64 H76 N8 O8 Sn2
• 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: 23.419 ± 0.005 Å
• b: 18.696 ± 0.003 Å
• c: 16.978 ± 0.004 Å
• α: 90°
• β: 127.39 ± 0.02°
• γ: 90°
• Cell volume: 5906 ± 3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for all reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.0609
• Goodness-of-fit parameter for all reflections: 1.031
• Goodness-of-fit parameter for significantly intense reflections: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No