Information card for entry 1561223

Structure parameters

• Formula: C52 H62 Ca O4 Sn2
• Calculated formula: C52 H62 Ca O4 Sn2
• SMILES: c1(ccccc1)[Sn](c1ccccc1)(c1ccccc1).[Ca]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.c1(ccccc1)[Sn](c1ccccc1)c1ccccc1
• Title of publication: Metal‒metal bonded alkaline-earth distannyls
• Authors of publication: Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Kahlal, Samia; Cordier, Marie; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann
• Journal of publication: Chemical Science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 20
• Pages of publication: 7098 - 7114
• a: 16.2273 ± 0.0012 Å
• b: 15.8447 ± 0.0009 Å
• c: 18.9351 ± 0.0014 Å
• α: 90°
• β: 98.715 ± 0.003°
• γ: 90°
• Cell volume: 4812.3 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0499
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No