Information card for entry 4022582

Structure parameters

• Formula: C45 H55 F12 N5 O14 P4 Pt2 S4
• Calculated formula: C45 H55 F12 N5 O14 P4 Pt2 S4
• Title of publication: Bidentate Ligands Capable of Variable Bond Angles in the Self-Assembly of Discrete Supramolecules
• Authors of publication: Ki-Whan Chi; Chris Addicott; Atta M. Arif; Neeladri Das; Peter J. Stang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 9798 - 9801
• a: 8.7232 ± 0.0003 Å
• b: 8.9406 ± 0.0002 Å
• c: 21.7964 ± 0.0006 Å
• α: 96.0857 ± 0.0016°
• β: 99.7545 ± 0.0012°
• γ: 100.558 ± 0.0016°
• Cell volume: 1630.41 ± 0.08 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No