Information card for entry 4317083

Structure parameters

• Formula: C42 H34 Cl6 N6 O4 S2 Zn
• Calculated formula: C42 H34 Cl6 N6 O4 S2 Zn
• SMILES: c12c3c(N(S(=O)(=O)c4ccc(cc4)C)[Zn]4([n]1c1c(cccc1)[nH]2)[n]1c(c2c(N4S(=O)(=O)c4ccc(cc4)C)cccc2)[nH]c2ccccc12)cccc3.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Illuminating Metal-Ion Sensors: Benzimidazolesulfonamide Metal Complexes
• Authors of publication: David Martin; Matthieu Rouffet; Seth M. Cohen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10226 - 10228
• a: 16.024 ± 0.0006 Å
• b: 16.9386 ± 0.0006 Å
• c: 16.1452 ± 0.0006 Å
• α: 90°
• β: 95.692 ± 0.001°
• γ: 90°
• Cell volume: 4360.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.034
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No