Information card for entry 2201996

Structure parameters

• Common name: [H~2~cyclenPO][I]
• Chemical name: 1,7-Dihydro-1,4,7,10-tetraazacyclododecanephosphine oxide iodide
• Formula: C8 H18 I N4 O P
• Calculated formula: C8 H18 I1.00333 N4 O P
• Title of publication: 1,7-Dihydro-1,4,7,10-tetraazacyclododecanephosphine oxide iodide
• Authors of publication: Twamley, Brendan; Gupta, O. D.; Shreeve, Jean'ne M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: o734 - o736
• a: 19.327 ± 0.003 Å
• b: 19.327 ± 0.003 Å
• c: 10.052 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3251.7 ± 1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2 :H
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes