Information card for entry 4101488

Structure parameters

• Formula: C16 H28 N3 Ni O4 Rh S2
• Calculated formula: C16 H28 N3 Ni O4 Rh S2
• 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: 27.95 ± 0.005 Å
• b: 23.526 ± 0.004 Å
• c: 28.457 ± 0.005 Å
• α: 90°
• β: 112.113 ± 0.003°
• γ: 90°
• Cell volume: 17336 ± 5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No