Information card for entry 7204591

Structure parameters

• Formula: C43 H40 N O P3 Pt
• Calculated formula: C43 H40 N O P3 Pt
• SMILES: [Pt]1(C)([P](N[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1.c1ccccc1
• Title of publication: An organoplatinum molecular hexagon that crystallizes in a hexagonal array
• Authors of publication: Rashidi, Mehdi; Jennings, Michael C.; Puddephatt, Richard J.
• Journal of publication: CrystEngComm
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 13
• Pages of publication: 65
• a: 25.6343 ± 0.0006 Å
• b: 25.6343 ± 0.0006 Å
• c: 31.3646 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 17849 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No