Information card for entry 7230842

Structure parameters

• Formula: C21 H51 N7 P2 Se2
• Calculated formula: C21 H51 N7 P2 Se2
• Title of publication: cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks
• Authors of publication: Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 39
• Pages of publication: 5998
• a: 16.1729 ± 0.0003 Å
• b: 23.0961 ± 0.0003 Å
• c: 33.2406 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12416.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No