Information card for entry 7131252

Structure parameters

• Formula: C12 H16 Br Cd N2 O2
• Calculated formula: C12 H16 Br Cd N2 O2
• Title of publication: Salicylaldehydate coordinated two-dimensional-conjugated metal–organic frameworks
• Authors of publication: Mohammed, Abdul Khayum; Pena-Sánchez, Pilar; Pandikassala, Ajmal; Gaber, Safa; AlKhoori, Ayesha A.; Skorjanc, Tina; Polychronopoulou, Kyriaki; Kurungot, Sreekumar; Gándara, Felipe; Shetty, Dinesh
• Journal of publication: Chemical Communications
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 18
• Pages of publication: 2608 - 2611
• a: 16.3028 ± 0.0008 Å
• b: 16.3028 ± 0.0008 Å
• c: 14.8888 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3427 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.1337
• Residual factor for significantly intense reflections: 0.0955
• Weighted residual factors for significantly intense reflections: 0.2463
• Weighted residual factors for all reflections included in the refinement: 0.299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No