Information card for entry 7049788

Structure parameters

• Formula: C26 H54 Al N6 Si4
• Calculated formula: C26 H54 Al N6 Si4
• Title of publication: Aluminum containing molecular bowls and pyridinophanes: use of pyridine modules to access different molecular topologies.
• Authors of publication: Bawari, Deependra; Negi, Chandrakala; Porwal, Vishal Kumar; Ravi, Satyam; Shamasundar, K. R.; Singh, Sanjay
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 21
• Pages of publication: 7442 - 7450
• a: 12.1076 ± 0.0008 Å
• b: 11.8845 ± 0.0008 Å
• c: 24.8155 ± 0.0018 Å
• α: 90°
• β: 94.202 ± 0.004°
• γ: 90°
• Cell volume: 3561.2 ± 0.4 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• 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: 0.0687
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No