Information card for entry 7018686

Structure parameters

• Formula: C4 H4 Cu N6
• Calculated formula: C4 H4 Cu N6
• Title of publication: CuN(6) Jahn-Teller centers in coordination frameworks comprising fully condensed Kuratowski-type secondary building units: phase transitions and magneto-structural correlations.
• Authors of publication: Grzywa, Maciej; Denysenko, Dmytro; Hanss, Jan; Scheidt, Ernst-Wilhelm; Scherer, Wolfgang; Weil, Matthias; Volkmer, Dirk
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 14
• Pages of publication: 4239 - 4248
• a: 11.8447 ± 0.0007 Å
• b: 11.8447 ± 0.0007 Å
• c: 18.9782 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2662.6 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.0935
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No