Information card for entry 7111603

Structure parameters

• Formula: C78 H63 N9 O16 Rh2
• Calculated formula: C78 H63 N9 O16 Rh2
• SMILES: [Rh]1234([Rh]([N]#CC)([O]=C(O1)[C@@H](N1C(=O)c5ccccc5C1=O)Cc1ccccc1)(OC(=[O]2)[C@@H](N1C(=O)c2ccccc2C1=O)Cc1ccccc1)([O]=C(O3)[C@@H](N1C(=O)c2ccccc2C1=O)Cc1ccccc1)OC(=[O]4)[C@@H](N1C(=O)c2ccccc2C1=O)Cc1ccccc1)[N]#CC.N#CC.N#CC.N#CC
• Title of publication: The chiral crown conformation in paddlewheel complexes
• Authors of publication: DeAngelis, Andrew; Boruta, David T.; Lubin, Jean-Bernard; Plampin, III, James N.; Yap, Glenn P. A.; Fox, Joseph M.
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 25
• Pages of publication: 4541 - 4543
• a: 12.649 ± 0.004 Å
• b: 24.398 ± 0.007 Å
• c: 12.67 ± 0.004 Å
• α: 90°
• β: 107.947 ± 0.004°
• γ: 90°
• Cell volume: 3720 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No