Information card for entry 4077141

Structure parameters

• Chemical name: eta1:eta4:eta1-1,4-bis(2-(diphenylphosphino)ethoxy)naphthalene)Rh][BF4]
• Formula: C38 H34 B F4 O2 P2 Rh
• Calculated formula: C38 H34 B F4 O2 P2 Rh
• SMILES: [Rh]1234567[P](CCO[c]82[cH]3[cH]4[c]5(OCC[P]1(c1ccccc1)c1ccccc1)[c]16cccc[c]781)(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: 10.3886 ± 0.0005 Å
• b: 13.9509 ± 0.0006 Å
• c: 11.8759 ± 0.0005 Å
• α: 90°
• β: 103.952 ± 0.001°
• γ: 90°
• Cell volume: 1670.4 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0208
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No