Information card for entry 4063900

Structure parameters

• Chemical name: [bis[N-2-(dimethylstibanyl)benzyl]methanamine]- bis(dicarbonyl(cyclopentadienyl)iron(II)) tetrafluoroborate dichloromethane solvate
• Formula: C33.5 H38 B2 Cl F8 Fe2 N O4 Sb2
• Calculated formula: C33.5 H38 B2 Cl F8 Fe2 N O4 Sb2
• SMILES: [Sb]([Fe]1234([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])C#[O])(C)(C)c1ccccc1CN(C)Cc1ccccc1[Sb]([Fe]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45)(C)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].C(Cl)Cl
• 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: 10.5977 ± 0.001 Å
• b: 11.799 ± 0.002 Å
• c: 16.732 ± 0.003 Å
• α: 78.332 ± 0.006°
• β: 86.814 ± 0.008°
• γ: 85.261 ± 0.008°
• Cell volume: 2040.3 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1141
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.1881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No