Information card for entry 1529425

Structure parameters

• Chemical name: Tris[(1,2-bis{diphenylphosphinoethane}platinum(II)]cyclotricatechylene hydrate octakis-dimethylacetamide solvate
• Formula: C131 H158 N8 O15 P6 Pt3
• Calculated formula: C123 H141 N6 O13 P6 Pt3
• Title of publication: Platinum(ii) complexes of mixed-valent radicals derived from cyclotricatechylene, a macrocyclic tris-dioxolene
• Authors of publication: Loughrey, Jonathan J.; Patmore, Nathan J.; Baldansuren, Amgalanbaatar; Fielding, Alistair J.; McInnes, Eric J. L.; Hardie, Michaele J.; Sproules, Stephen; Halcrow, Malcolm A.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 12
• Pages of publication: 6935
• a: 23.8013 ± 0.0006 Å
• b: 23.8013 ± 0.0006 Å
• c: 13.6022 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6673.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.1886
• Weighted residual factors for all reflections included in the refinement: 0.1897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 0.6998 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No