Information card for entry 4349149

Structure parameters

• Formula: C31 H48 Cr O3 Sn
• Calculated formula: C31 H48 Cr O3 Sn
• SMILES: [Sn]([Cr]1234(C#[O])(C#[O])(C#[O])[c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: Thermodynamic, Kinetic, Structural, and Computational Studies of the Ph₃Sn-H, Ph₃Sn-SnPh₃, and Ph₃Sn-Cr(CO)₃C₅Me₅ Bond Dissociation Enthalpies.
• Authors of publication: Cai, Xiaochen; Majumdar, Subhojit; Fortman, George C.; Koppaka, Anjaneyulu; Serafim, Leonardo; Captain, Burjor; Temprado, Manuel; Hoff, Carl D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 20
• Pages of publication: 10751 - 10766
• a: 18.1471 ± 0.0008 Å
• b: 17.7577 ± 0.0008 Å
• c: 9.7232 ± 0.0004 Å
• α: 90°
• β: 95.814 ± 0.001°
• γ: 90°
• Cell volume: 3117.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0684
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No