Information card for entry 4315467

Structure parameters

• Formula: C72 H60 Cl8 Cu2 In2 P4
• Calculated formula: C72 H60 Cl8 Cu2 In2 P4
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[Cl][In]([Cl][Cu]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[Cl][In]([Cl]1)(Cl)Cl)(Cl)Cl
• Title of publication: Stepwise Introduction of Thiolates in Copper-Indium Binuclear Complexes
• Authors of publication: Kelsey R. Margulieux; Chivin Sun; Lev N. Zakharov; Andrew W. Holland; Joshua J. Pak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3959 - 3961
• a: 12.3004 ± 0.0012 Å
• b: 12.9369 ± 0.0012 Å
• c: 13.3148 ± 0.0013 Å
• α: 89.193 ± 0.001°
• β: 70.572 ± 0.001°
• γ: 64.2 ± 0.001°
• Cell volume: 1777.5 ± 0.3 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: 0.0269
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No