Information card for entry 7018247

Structure parameters

• Formula: C11 H24 N2 Ni S2
• Calculated formula: C11 H24 N2 Ni S2
• SMILES: [Ni]123[N](C[C@@H](C)S2)(C)CCC[N]1(C)C[C@@H](C)S3.[Ni]123[N](C[C@H](C)S2)(C)CCC[N]1(C)C[C@H](C)S3
• Title of publication: Quenching of tryptophan fluorescence in various proteins by a series of small nickel complexes.
• Authors of publication: Crouse, Heather F.; Potoma, Julianne; Nejrabi, Farhat; Snyder, Deanna L.; Chohan, Balwant S.; Basu, Swarna
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 9
• Pages of publication: 2720 - 2731
• a: 10.5547 ± 0.001 Å
• b: 12.3943 ± 0.0011 Å
• c: 11.5831 ± 0.0011 Å
• α: 90°
• β: 111.126 ± 0.005°
• γ: 90°
• Cell volume: 1413.4 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0829
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No