Information card for entry 8105336

Structure parameters

• Formula: C39 H37 Cu Fe O P2 S2
• Calculated formula: C39 H37 Cu Fe O P2 S2
• Title of publication: Crystal structure of 1,1′-bis(diphenylphosphino)ferrocene-(1,1′-bis(diphenylphosphino)ferrocene-κ2 P,P′)-(O-isobutyl sulfurodithioito-κ2 S,S′)copper(I), C39H37CuFeOP2S2
• Authors of publication: Li, Zhuang-yu; Liu, Xiao-jing; Liu, E.; Jian, Fang-fang; Liang, Tongling
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 4
• Pages of publication: 935 - 937
• a: 9.6132 ± 0.001 Å
• b: 11.5667 ± 0.0012 Å
• c: 16.8739 ± 0.0018 Å
• α: 99.732 ± 0.002°
• β: 96.342 ± 0.002°
• γ: 93.446 ± 0.002°
• Cell volume: 1832 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0617
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0521
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No