Information card for entry 7022556

Structure parameters

• Formula: C55.38 H37.83 Cl4.6 Cu2 N11.08 O20.16 S4
• Calculated formula: C55.378 H37.836 Cl4.596 Cu2 N11.08 O20.16 S4
• Title of publication: Synthesis of ligands containing N-oxide donor atoms and their assembly into metallosupramolecular structures.
• Authors of publication: Bullock, Samantha J.; Harding, Lindsay P.; Moore, Michelle P.; Mills, Andrew; Piela, Sean A. F.; Rice, Craig R.; Towns-Andrews, Liz; Whitehead, Martina
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 16
• Pages of publication: 5805 - 5811
• a: 12.0799 ± 0.0012 Å
• b: 14.734 ± 0.0015 Å
• c: 17.2067 ± 0.0017 Å
• α: 95.609 ± 0.002°
• β: 94.864 ± 0.002°
• γ: 90.453 ± 0.002°
• Cell volume: 3036.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No