Information card for entry 7010768

Structure parameters

• Formula: C23 H28 Cl2 Cu N6 O8 S2
• Calculated formula: C23 H28 Cl2 Cu N6 O8 S2
• Title of publication: Synthesis, structure, spectra and redox of Cu(ii) complexes of chelating bis(benzimidazole)—thioether ligands as models for electron transfer blue copper proteins
• Authors of publication: Vaidyanathan, Mathrubootham; Balamurugan, Ramalingam; Sivagnanam, Usha; Palaniandavar, Mallayan
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 23
• Pages of publication: 3498 - 3506
• a: 10.9367 ± 0.0005 Å
• b: 15.628 ± 0.0006 Å
• c: 17.6216 ± 0.0008 Å
• α: 90°
• β: 100.969 ± 0.0015°
• γ: 90°
• Cell volume: 2956.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1334
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1688
• Weighted residual factors for all reflections included in the refinement: 0.2132
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No