Information card for entry 7030002

Structure parameters

• Formula: C71.2 H58.4 Cl2.4 N12 O4 Zn2
• Calculated formula: C71.2 H58.4 Cl2.4 N12 O4 Zn2
• Title of publication: Swift photoswitching in a binuclear Zn(ii) metallacycle relative to a salen-type ligand.
• Authors of publication: Kumar, Amit; Pandey, Rampal; Gupta, Rakesh Kumar; Mishra, Veenu; Mobin, Shaikh M.; Pandey, Daya Shankar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 17
• Pages of publication: 6365 - 6376
• a: 13.0742 ± 0.0008 Å
• b: 15.6117 ± 0.0012 Å
• c: 17.5354 ± 0.0011 Å
• α: 82.851 ± 0.006°
• β: 68.389 ± 0.006°
• γ: 77.788 ± 0.006°
• Cell volume: 3248 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.2216
• Weighted residual factors for all reflections included in the refinement: 0.2456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No