Information card for entry 7035961

Structure parameters

• Chemical name: trans-Carbonylchlorido-[1,1?-bis(5-(phospholano)pentyl)ferrocene-κ2P,P?]-rhodium(I)
• Formula: C29 H44 Cl Fe O P2 Rh
• Calculated formula: C29 H44 Cl Fe O P2 Rh
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]1[Fe]17893456[c]3([cH]9[cH]8[cH]7[cH]13)CCCCC[P]1(CCCC1)[Rh](C#[O])([P]1(CCCCC2)CCCC1)Cl
• 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: 10.773 ± 0.005 Å
• b: 12.183 ± 0.005 Å
• c: 22.166 ± 0.005 Å
• α: 90 ± 0.005°
• β: 97.477 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2884.5 ± 1.9 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No