Information card for entry 7018248

Structure parameters

• Formula: C17 H40 I2 N4 Ni O4 S2
• Calculated formula: C17 H40 I2 N4 Ni O4 S2
• SMILES: C1C(N)=[O][Ni]2345[N](C[C@@H](C)[S]14)(C)CCC[N]2(C)C[C@H](C)[S]5CC(N)=[O]3.CO.OC.[I-].[I-].C1C(N)=[O][Ni]2345[N](C[C@H](C)[S]14)(C)CCC[N]2(C)C[C@@H](C)[S]5CC(N)=[O]3.CO.OC.[I-].[I-]
• 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: 10.4046 ± 0.0012 Å
• b: 10.9123 ± 0.0012 Å
• c: 13.8838 ± 0.0016 Å
• α: 87.671 ± 0.002°
• β: 78.132 ± 0.002°
• γ: 72.023 ± 0.002°
• Cell volume: 1466.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No