Information card for entry 2226828

Structure parameters

• Chemical name: [1,2-Bis(diphenylphosphino)ethane]chlorido(η^5^- pentamethylcyclopentadienyl)iron(II) dichloromethane solvate
• Formula: C37 H41 Cl3 Fe P2
• Calculated formula: C37 H41 Cl3 Fe P2
• SMILES: [Fe]12345([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)(Cl)[P](c1ccccc1)(c1ccccc1)CC[P]5(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: [1,2-Bis(diphenylphosphino)ethane]chlorido(η^5^-pentamethylcyclopentadienyl)iron(II) dichloromethane solvate
• Authors of publication: Ou, Ya-ping; Feng, Dan; Yuan, Jing-jing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m921
• a: 10.3602 ± 0.0006 Å
• b: 10.9552 ± 0.0006 Å
• c: 17.0781 ± 0.001 Å
• α: 80.228 ± 0.001°
• β: 72.526 ± 0.001°
• γ: 72.363 ± 0.001°
• Cell volume: 1755.35 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes