Information card for entry 4350487

Structure parameters

• Formula: C40 H38 Cu N4 S4
• Calculated formula: C40 H38 Cu N4 S4
• SMILES: C1(N2CCN(CC2)Cc2c3ccccc3cc3ccccc23)=[S][Cu]2(S1)[S]=C(N1CCN(CC1)Cc1c3ccccc3cc3ccccc13)S2
• Title of publication: Fluorescent nitric oxide detection by copper complexes bearing anthracenyl and dansyl fluorophore ligands.
• Authors of publication: Lim, Mi Hee; Lippard, Stephen J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 22
• Pages of publication: 8980 - 8989
• a: 21.418 ± 0.004 Å
• b: 8.5585 ± 0.0017 Å
• c: 10.154 ± 0.002 Å
• α: 90°
• β: 102.08 ± 0.03°
• γ: 90°
• Cell volume: 1820.1 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1107
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No