Information card for entry 7116277

Structure parameters

• Formula: C19 H9 Cu2 N2 O10
• Calculated formula: C19 H9 Cu2 N2 O10
• Title of publication: Solvent induced single-crystal to single-crystal structural transformation and concomitant transmetalation in a 3D cationic Zn(ii)-framework.
• Authors of publication: Sen, Susan; Neogi, Subhadip; Rissanen, Kari; Bharadwaj, Parimal K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 15
• Pages of publication: 3173 - 3176
• a: 17.7179 ± 0.0007 Å
• b: 17.7179 ± 0.0007 Å
• c: 27.5566 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8650.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 134
• Hermann-Mauguin space group symbol: P 42/n n m :2
• Hall space group symbol: -P 4ac 2bc
• Residual factor for all reflections: 0.1075
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.2123
• Weighted residual factors for all reflections included in the refinement: 0.2355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No