Information card for entry 7101522

Structure parameters

• Formula: C30 H33 N6 Rh
• Calculated formula: C30 H33 N6 Rh
• SMILES: [Rh]12([N]3(CC[N]1(CC[N]2(CC3)C)C)C)(C#Cc1ccncc1)(C#Cc1ccncc1)C#Cc1ccncc1
• 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: 20.996 ± 0.002 Å
• b: 11.6667 ± 0.0011 Å
• c: 24.063 ± 0.002 Å
• α: 90°
• β: 114.499 ± 0.002°
• γ: 90°
• Cell volume: 5363.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No