Information card for entry 7060446

Structure parameters

• Formula: C42 H44 Cd Cu6 N12 O22 S6
• Calculated formula: C42 H44 Cd Cu6 N12 O22 S6
• Title of publication: Aliphatic amine mediated assembly of [M6(mna)6] (M = Cu/Ag) into extended two-dimensional structures: synthesis, structure and Lewis acid catalytic studies
• Authors of publication: Sarkar, Anupam; Jana, Ajay Kumar; Natarajan, Srinivasan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 6503 - 6511
• a: 11.6027 ± 0.0005 Å
• b: 12.0784 ± 0.0004 Å
• c: 12.2986 ± 0.0005 Å
• α: 64.612 ± 0.004°
• β: 82.183 ± 0.004°
• γ: 75.63 ± 0.004°
• Cell volume: 1507.52 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No