Information card for entry 7116278

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: 25.4117 ± 0.0014 Å
• b: 25.4117 ± 0.0014 Å
• c: 52.162 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 33684 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 141
• Hermann-Mauguin space group symbol: I 41/a m d :2
• Hall space group symbol: -I 4bd 2
• Residual factor for all reflections: 0.1595
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No