Information card for entry 2312708

Structure parameters

• Formula: C40 H32 Cu4 Mo8 N8 O26
• Calculated formula: C40 H32 Cu4 Mo8 N8 O26
• 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: 10.86409 ± 0.00018 Å
• b: 11.244 ± 0.0002 Å
• c: 21.9304 ± 0.0003 Å
• α: 90°
• β: 94.1363 ± 0.0014°
• γ: 90°
• Cell volume: 2671.95 ± 0.07 ų
• Cell temperature: 100 ± 0.14 K
• Ambient diffraction temperature: 100 ± 0.14 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: 0.0284
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.0494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No