Information card for entry 7244590

Structure parameters

• Formula: C6 H4 Br Cu0.5 N2 Se
• Calculated formula: C6 H4 Br Cu0.5 N2 Se
• Title of publication: Effect of chalcogen bond on the packing and coordination geometry in hybrid organic-inorganic Cu(II) networks.
• Authors of publication: Parisi, Emmanuele; CARELLA, Antonio; Borbone, Fabio; Gentile, Francesco Silvio; Centore, Roberto; Chiarella, Fabio
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 8.487 ± 0.001 Å
• b: 9.587 ± 0.0012 Å
• c: 10.319 ± 0.0008 Å
• α: 94.514 ± 0.01°
• β: 109.679 ± 0.009°
• γ: 102.793 ± 0.011°
• Cell volume: 760.13 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No