Information card for entry 7039165

Structure parameters

• Chemical name: 1,5,5,9,13,13,20,20-octamethyl-3,7,11,15,18,22-hexaazabicyclo[7.7.7]tricosanemercury(II) nitrate dihydrate
• Formula: C25 H58 Hg N8 O8
• Calculated formula: C25 H54 Hg N8 O8
• Title of publication: Trigonal prismatic metal complexes: a not so rare coordination geometry?
• Authors of publication: Alcock, Leighton J.; Cavigliasso, Germán; Willis, Anthony C.; Stranger, Robert; Ralph, Stephen F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 22
• Pages of publication: 9036 - 9040
• a: 18.6126 ± 0.0003 Å
• b: 16.4042 ± 0.0002 Å
• c: 10.5731 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3228.23 ± 0.09 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for all reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No