Information card for entry 4066006

Structure parameters

• Formula: C69 H93.5 Cl2 Cu6 N4 O1.75 P4 Si4
• Calculated formula: C69 H93.5 Cl2 Cu6 N4 O1.75 P4 Si4
• 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: 14.4174 ± 0.0005 Å
• b: 21.766 ± 0.0007 Å
• c: 25.8932 ± 0.0008 Å
• α: 100.512 ± 0.0004°
• β: 98.6051 ± 0.0004°
• γ: 97.5673 ± 0.0004°
• Cell volume: 7792.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No