Information card for entry 7022557

Structure parameters

• Formula: C38 H29 Cl6 Cu2 N9 O27 S2
• Calculated formula: C38 H29 Cl6 Cu2 N9 O27 S2
• 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: 9.4086 ± 0.0008 Å
• b: 16.9828 ± 0.0014 Å
• c: 18.2559 ± 0.0016 Å
• α: 67.07 ± 0.002°
• β: 82.993 ± 0.002°
• γ: 74.439 ± 0.002°
• Cell volume: 2587.5 ± 0.4 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: 0.1326
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No