Information card for entry 7041028

Structure parameters

• Formula: C84 H76 O6 Sn2
• Calculated formula: C84 H76 O6 Sn2
• SMILES: [Sn]1(OC(c2ccccc2)(c2ccccc2)c2ccccc2)[O]([Sn](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[O]1C(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1.O1CCCC1
• Title of publication: Aerosol-assisted CVD of SnO from stannous alkoxide precursors.
• Authors of publication: Hill, Michael S.; Johnson, Andrew L.; Lowe, John P.; Molloy, Kieran C.; Parish, James D.; Wildsmith, Thomas; Kingsley, Andrew L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 45
• Pages of publication: 18252 - 18258
• a: 12.49 ± 0.0001 Å
• b: 13.051 ± 0.0002 Å
• c: 40.656 ± 0.0005 Å
• α: 90°
• β: 92.163 ± 0.001°
• γ: 90°
• Cell volume: 6622.49 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0626
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No