Information card for entry 4066009

Structure parameters

• Formula: C74 H76 Cu2 N2 P4 Si2
• Calculated formula: C74 H76 Cu2 N2 P4 Si2
• SMILES: [Cu]12([Cu]3([P](c4ccccc4)(c4ccccc4)c4ccccc4)[N](=P(C23P(=[N]1[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1.Cc1ccccc1
• Title of publication: Rare, Hexatomic, Boat-Shaped, Cross-Linked Bis(iminodiphenylphosphorano)methanediide Pincer Carbon Bridged Photoluminescent Copper Clusters Capped with Methyl or Halide Bridges
• Authors of publication: Ma, Guibin; Ferguson, Michael J.; McDonald, Robert; Cavell, Ronald G.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 19
• Pages of publication: 4251
• a: 13.228 ± 0.002 Å
• b: 13.701 ± 0.002 Å
• c: 20.8 ± 0.003 Å
• α: 107.422 ± 0.0018°
• β: 90.3296 ± 0.0018°
• γ: 96.2947 ± 0.0019°
• Cell volume: 3572.2 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No