Information card for entry 7035959

Structure parameters

• Chemical name: [1,1?-Bis(5-(phospholano)pentyl)ferrocene-κ2P,P?]gold(I) chloride
• Formula: C28 H44 Au Cl Fe P2
• Calculated formula: C28 H44 Au Cl Fe P2
• SMILES: C1CCCC[c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[c]9(CCCCC[P]4(CCCC4)[Au]([P]41CCCC4)Cl)[cH]8[cH]7[cH]23
• Title of publication: Heterobimetallic complexes with highly flexible 1,1'-bis(phospholanoalkyl)ferrocene ligands.
• Authors of publication: Schmied, Andy; Straube, Axel; Grell, Toni; Jähnigen, Sascha; Hey-Hawkins, Evamarie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 43
• Pages of publication: 18760 - 18768
• a: 12.296 ± 0.005 Å
• b: 13.526 ± 0.005 Å
• c: 16.974 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2823 ± 1.8 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No