Information card for entry 4338760

Structure parameters

• Formula: C104 H92 Cu8 N24 O50
• Calculated formula: C104 H92 Cu8 N24 O50
• 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: 21.452 ± 0.002 Å
• b: 21.421 ± 0.002 Å
• c: 27.277 ± 0.003 Å
• α: 90°
• β: 107.912 ± 0.002°
• γ: 90°
• Cell volume: 11927 ± 2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No