Information card for entry 4101489

Structure parameters

• Formula: C12 H20 F6 N2 Ni O2 Rh S3
• Calculated formula: C12 H20 F6 N2 Ni O2 Rh S3
• SMILES: [Rh]12([Ni]345[S]1CC[N]14CCC[N]5(CCC1)CC[S]23)(C#[O])C#[O].S(F)(F)(F)(F)(F)F
• Title of publication: A nickel tripeptide as a metallodithiolate ligand anchor for resin-bound organometallics.
• Authors of publication: Green, Kayla N; Jeffery, Stephen P; Reibenspies, Joseph H; Darensbourg, Marcetta Y
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 19
• Pages of publication: 6493 - 6498
• a: 9.991 ± 0.002 Å
• b: 11.55 ± 0.003 Å
• c: 16.844 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1943.7 ± 0.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No