Information card for entry 2312705

Structure parameters

• Formula: C40 H32.6 Cu4 Mo4 N8 O16.3
• Calculated formula: C40 H32.6 Cu4 Mo4 N8 O16.3
• 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: 9.7136 ± 0.0012 Å
• b: 23.759 ± 0.003 Å
• c: 19.9289 ± 0.0017 Å
• α: 90°
• β: 103.035 ± 0.011°
• γ: 90°
• Cell volume: 4480.8 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes