Information card for entry 2300776

Structure parameters

• Formula: C24 H20 Sn
• Calculated formula: C24 H20 Sn
• Title of publication: Determination of partial atomic charges from single-crystal X-ray diffraction by refinement of occupancy of spherical atoms
• Authors of publication: Keller, Taylor; Byrne, Alex; Prakash, Prabhat; Zdilla, Michael
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2026
• Journal volume: 59
• Journal issue: 5
• Pages of publication: 1614 - 1629
• a: 12.0122 ± 0.0009 Å
• b: 12.0122 ± 0.0009 Å
• c: 6.4046 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 924.14 ± 0.14 ų
• Cell temperature: 100.02 K
• Ambient diffraction temperature: 100.02 K
• Number of distinct elements: 3
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.0474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0354
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes