Information card for entry 7029472

Structure parameters

• Formula: C15 H14 Cl2 Cu N6 O2
• Calculated formula: C15 H14 Cl2 Cu N6 O2
• Title of publication: Relevant and unprecedented C-H/σ supramolecular interactions involving σ-aromatic M2X2 cores.
• Authors of publication: Sasmal, Ashok; Bauzá, Antonio; Frontera, Antonio; Rizzoli, Corrado; Desplanches, Cédric; Charbonnière, Loïc J; Mitra, Samiran
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 16
• Pages of publication: 6195 - 6211
• a: 9.5074 ± 0.0005 Å
• b: 9.5783 ± 0.0005 Å
• c: 11.9155 ± 0.0006 Å
• α: 96.8542 ± 0.0007°
• β: 105.609 ± 0.0007°
• γ: 117.541 ± 0.0006°
• Cell volume: 888.09 ± 0.08 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0366
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No