Information card for entry 2202835

Structure parameters

• Common name: Re C15.5 H12 N3 O3 Sb F6 Cl
• Chemical name: (2,2'-Bipyridine-κ^2^N,N')tricarbonyl(acetonitrile-κN)rhenium(I) hexafluoroantimonate dichloromethane hemisolvate
• Formula: C15.5 H12 Cl F6 N3 O3 Re Sb
• Calculated formula: C15.5 H12 Cl F6 N3 O3 Re Sb
• SMILES: [Re]1([N]#CC)([n]2ccccc2c2[n]1cccc2)(C#[O])(C#[O])C#[O].[Sb](F)(F)(F)(F)(F)[F-].ClCCl
• Title of publication: (2,2'-Bipyridine-κ^2^<i>N,N</i>')tricarbonyl(acetonitrile-κ<i>N</i>)rhenium(I) hexafluoroantimonate dichloromethane hemisolvate
• Authors of publication: Chen, Yandan; Zhang, Liyi; Chen, Zhongning
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: m429 - m430
• a: 8.4548 ± 0.0004 Å
• b: 12.4176 ± 0.0005 Å
• c: 22.6477 ± 0.0009 Å
• α: 86.51 ± 0.001°
• β: 79.359 ± 0.001°
• γ: 73.167 ± 0.001°
• Cell volume: 2236.66 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0831
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes