Information card for entry 4338759

Structure parameters

• Formula: C15 H13 Cu N3 O8
• Calculated formula: C15 H13 Cu N3 O8
• Title of publication: Reversible Switching of Electronic Ground State in a Pentacoordinated Cu(II) 1D Cationic Polymer and Structural Diversity.
• Authors of publication: Sasmal, Ashok; Garribba, Eugenio; Rizzoli, Corrado; Mitra, Samiran
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 6665 - 6674
• a: 14.728 ± 0.002 Å
• b: 14.876 ± 0.002 Å
• c: 7.4484 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1631.9 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No