Information card for entry 7030001

Structure parameters

• Formula: C35 H30 N6 O2
• Calculated formula: C35 H30 N6 O2
• 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: 22.9576 ± 0.001 Å
• b: 5.8417 ± 0.0003 Å
• c: 43.823 ± 0.004 Å
• α: 90°
• β: 100.2 ± 0.005°
• γ: 90°
• Cell volume: 5784.3 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1162
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.1763
• Weighted residual factors for all reflections included in the refinement: 0.1998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No