Information card for entry 7101523

Structure parameters

• Formula: C138 H210 N12 P6 Pt3 Rh2
• Calculated formula: C138 H210 N12 P6 Pt3 Rh2
• SMILES: [n]12ccc(cc1)C#C[Rh]134([N]5(CC[N]1(CC[N]3(CC5)C)C)C)C#Cc1cc[n](cc1)[Pt]1([n]3ccc(C#C[Rh]56([N]7(CC[N]5(CC[N]6(CC7)C)C)C)(C#Cc5cc[n]([Pt]62[P](CC[P]6(C2CCCCC2)C2CCCCC2)(C2CCCCC2)C2CCCCC2)cc5)C#Cc2cc[n](cc2)[Pt]2([n]5ccc(C#C4)cc5)[P](CC[P]2(C2CCCCC2)C2CCCCC2)(C2CCCCC2)C2CCCCC2)cc3)[P](CC[P]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: Synthesis and characterization of a trigonal bipyramidal supramolecular cage based upon rhodium and platinum metal centers
• Authors of publication: Garrison, Jered C.; Panzner, Matthew J.; Custer, Paul D.; Reddy, D. Venkat; Rinaldi, Peter L.; Tessier, Claire A.; Youngs, Wiley J.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2006
• Journal issue: 44
• Pages of publication: 4644 - 4646
• a: 19.541 ± 0.003 Å
• b: 22.799 ± 0.003 Å
• c: 23.89 ± 0.003 Å
• α: 90°
• β: 103.095 ± 0.002°
• γ: 90°
• Cell volume: 10366 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1375
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.1775
• Weighted residual factors for all reflections included in the refinement: 0.1978
• Goodness-of-fit parameter for all reflections included in the refinement: 0.823
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No