Information card for entry 7049787

Structure parameters

• Formula: C27 H57 Al3 N6 Si4
• Calculated formula: C27 H57 Al3 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: 18.013 ± 0.007 Å
• b: 14.239 ± 0.006 Å
• c: 15.42 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3955 ± 3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1791
• Weighted residual factors for all reflections included in the refinement: 0.2081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No