Information card for entry 4063902

Structure parameters

• Chemical name: dicarbonyl(eta^5^-cyclopentadienyl)[(2-methoxyphenyl)(diphenyl)bismuthine]- iron(II) tetrafluoroborate dichloromethane solvate
• Formula: C26.9 H23.8 B Bi Cl1.8 F4 Fe O3
• Calculated formula: C26.9 H23.8 B Bi Cl1.8 F4 Fe O3
• SMILES: [Fe]1234([Bi](c5ccccc5)(c5ccccc5)c5ccccc5OC)(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45.ClCCl.[B](F)(F)(F)[F-]
• Title of publication: Hybrid Dibismuthines and Distibines: Preparation and Properties of Antimony and Bismuth Oxygen, Sulfur, and Nitrogen Donor Ligands
• Authors of publication: Benjamin, Sophie L.; Karagiannidis, Louise; Levason, William; Reid, Gillian; Rogers, Michael C.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 4
• Pages of publication: 895
• a: 10.481 ± 0.002 Å
• b: 12.3341 ± 0.0015 Å
• c: 12.37 ± 0.003 Å
• α: 88.091 ± 0.01°
• β: 66.197 ± 0.01°
• γ: 82.102 ± 0.01°
• Cell volume: 1448.8 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No