Information card for entry 7037613

Structure parameters

• Formula: C36 H74 K2 N8
• Calculated formula: C36 H74 K2 N8
• Title of publication: Accessible heavier s-block dihydropyridines: structural elucidation and reactivity of isolable molecular hydride sources.
• Authors of publication: Orr, Samantha A.; Kennedy, Alan R.; Liggat, John J.; McLellan, Ross; Mulvey, Robert E.; Robertson, Stuart D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 6234 - 6240
• a: 14.0503 ± 0.0006 Å
• b: 10.0747 ± 0.0004 Å
• c: 15.3534 ± 0.0005 Å
• α: 90°
• β: 94.143 ± 0.003°
• γ: 90°
• Cell volume: 2167.63 ± 0.15 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No