Information card for entry 2312706

Structure parameters

• Formula: C10 H9 Cu2 Mo2 N2 O8.5
• Calculated formula: C10 H8 Cu2 Mo2 N2 O8
• Title of publication: Coordination geometry flexibility driving supramolecular isomerism of Cu/Mo pillared-layer hybrid networks.
• Authors of publication: Moya, Marielsys; Liendo-Polanco, Gustavo R; Atencio, Reinaldo; Silva, Pedro; Henao, Jose A.; Bruno-Colmenares, Julia
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 6
• Pages of publication: 782 - 792
• a: 5.612 ± 0.0001 Å
• b: 5.7724 ± 0.0001 Å
• c: 12.4665 ± 0.0003 Å
• α: 95.99 ± 0.002°
• β: 93.999 ± 0.002°
• γ: 110.227 ± 0.002°
• Cell volume: 374.444 ± 0.014 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0278
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes