Information card for entry 4077140

Structure parameters

• Chemical name: [(m2-1,4-bis(2-(diphenylphosphino)ethoxy)naphthalene)2(CO)2Rh2 (CD3CN)2][BF4]2
• Formula: C86 H80 B2 F8 N4 O6 P4 Rh2
• Calculated formula: C86 H80 B2 F8 N4 O6 P4 Rh2
• SMILES: [B](F)(F)(F)[F-].c12ccc(c3ccccc23)OCC[P](c2ccccc2)(c2ccccc2)[Rh]([N]#CC)([P](CCOc2ccc(c3ccccc23)OCC[P]([Rh]([N]#CC)([P](CCO1)(c1ccccc1)c1ccccc1)C#[O])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#[O].N#CC.[B](F)(F)(F)[F-].N#CC
• Title of publication: Probing the Mechanistic and Energetic Basis for the Weak-Link Approach to Supramolecular Coordination Complexes
• Authors of publication: Holliday, Bradley J.; Jeon, You-Moon; Mirkin, Chad A.; Stern, Charlotte L.; Incarvito, Christopher D.; Zakharov, Lev N.; Sommer, Roger D.; Rheingold, Arnold L.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 26
• Pages of publication: 5713
• a: 11.3786 ± 0.0006 Å
• b: 19.4572 ± 0.001 Å
• c: 18.9976 ± 0.001 Å
• α: 90°
• β: 99.845 ± 0.001°
• γ: 90°
• Cell volume: 4144 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No