Information card for entry 7041846

Structure parameters

• Chemical name: Compound6A
• Formula: C11 H7 Cl Cu N3 O4 S
• Calculated formula: C11 H7 Cl Cu N3 O4 S
• Title of publication: Inter-ligand electronic coupling mediated through a dimetal bridge: dependence on metal ions and ancillary ligands.
• Authors of publication: Majumdar, Moumita; Saha, Sayantani; Dutta, Indranil; Sinha, Arup; Bera, Jitendra K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 5660 - 5669
• a: 7.0405 ± 0.001 Å
• b: 13.4755 ± 0.0018 Å
• c: 13.4023 ± 0.0018 Å
• α: 90°
• β: 101.378 ± 0.002°
• γ: 90°
• Cell volume: 1246.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0733
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No