Information card for entry 7230836

Structure parameters

• Formula: C57 H138 N18 O3 P6 Se6
• Calculated formula: C57 H138 N18 O3 P6 Se6
• 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: 50.3437 ± 0.0018 Å
• b: 17.142 ± 0.0005 Å
• c: 10.2119 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8812.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No