Information card for entry 7024407

Structure parameters

• Formula: C17.95 H18 F6.15 N6 O5.85 P0.05 S1.95
• Calculated formula: C17.95 H18 F6.15 N6 O5.85 P0.05 S1.95
• Title of publication: Platinum(II) and palladium(II) metallomacrocycles derived from cationic 4,4'-bipyridinium, 3-aminopyrazinium and 2-aminopyrimidinium ligands.
• Authors of publication: Schilter, David; Clegg, Jack K.; Harding, Margaret M.; Rendina, Louis M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 1
• Pages of publication: 239 - 247
• a: 9.6224 ± 0.0004 Å
• b: 11.2521 ± 0.0005 Å
• c: 12.3853 ± 0.0005 Å
• α: 98.435 ± 0.002°
• β: 112.739 ± 0.002°
• γ: 100.33 ± 0.002°
• Cell volume: 1181.73 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No