Information card for entry 7022558

Structure parameters

• Formula: C109 H78 Cl8 N29 Ni4 O51 S8
• Calculated formula: C109 H78 Cl8 N29 Ni4 O51 S8
• 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: 10.7357 ± 0.0005 Å
• b: 13.4575 ± 0.0006 Å
• c: 23.2619 ± 0.0011 Å
• α: 82.993 ± 0.001°
• β: 78.839 ± 0.001°
• γ: 82.371 ± 0.001°
• Cell volume: 3252 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1322
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No