Information card for entry 4339000

Structure parameters

• Formula: C28 H30 F6 N Ni P3 S
• Calculated formula: C28 H30 F6 N Ni P3 S
• SMILES: [Ni]12(SCC[NH2]2)[P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Nickel-cysteine binding supported by phosphine chelates.
• Authors of publication: Desrochers, Patrick J.; Duong, Davis S.; Marshall, Ariel S.; Lelievre, Stacey A.; Hong, Bonnie; Brown, Josh R.; Tarkka, Richard M.; Manion, Jerald M.; Holman, Garen; Merkert, Jon W.; Vicic, David A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 22
• Pages of publication: 9221 - 9233
• a: 19.919 ± 0.006 Å
• b: 13.482 ± 0.004 Å
• c: 22.577 ± 0.007 Å
• α: 90°
• β: 92.851 ± 0.007°
• γ: 90°
• Cell volume: 6056 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1063
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1744
• Weighted residual factors for all reflections included in the refinement: 0.1994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No