Information card for entry 7006994

Structure parameters

• Formula: C33 H45 Cl Cu N7 O3
• Calculated formula: C33 H45 Cl Cu N7 O3
• SMILES: [Cu]12(Cl)[N](Cc3[n]1c(ccc3)NC(=O)C(C)(C)C)(Cc1nc(ccc1)NC(=O)C(C)(C)C)Cc1[n]2c(ccc1)NC(=O)C(C)(C)C
• Title of publication: The strength of hydrogen bonding to metal-bound ligands can contribute to changes in the redox behaviour of metal centres.
• Authors of publication: Mareque Rivas, Juan C.; Hinchley, Sarah L.; Metteau, Laurent; Parsons, Simon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 19
• Pages of publication: 2316 - 2322
• a: 10.1526 ± 0.0002 Å
• b: 18.4259 ± 0.0003 Å
• c: 18.6888 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3496.13 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No