Information card for entry 4077139

Structure parameters

• Chemical name: [(m2-1,4-bis(2-(diphenylphosphino)ethoxy)naphthalene)2Rh2(CD3CN)4] [BF4]2
• Formula: C86 H88 B2 Cl4 F8 N4 O6 P4 Rh2
• Calculated formula: C84 H80 B2 F8 N4 O4 P4 Rh2
• SMILES: [B](F)(F)(F)[F-].C1COc2ccc(c3ccccc23)OCC[P](c2ccccc2)(c2ccccc2)[Rh]([N]#CC)([N]#CC)[P](CCOc2ccc(c3ccccc23)OCC[P](c2ccccc2)(c2ccccc2)[Rh]([N]#CC)([P]1(c1ccccc1)c1ccccc1)[N]#CC)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
• 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: 10.693 ± 0.002 Å
• b: 12.056 ± 0.002 Å
• c: 18.979 ± 0.003 Å
• α: 84.261 ± 0.003°
• β: 89.892 ± 0.003°
• γ: 83.049 ± 0.003°
• Cell volume: 2416.4 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0947
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.1911
• Weighted residual factors for all reflections included in the refinement: 0.2014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No