Information card for entry 4316811

Structure parameters

• Formula: C30 H19 F3 N6 O9 Re2 S
• Calculated formula: C30 H19 F3 N6 O9 Re2 S
• SMILES: [Re]1(n2c[n]([Re]3(C#[O])(C#[O])([n]4ccccc4c4[n]3cccc4)C#[O])cc2)([n]2c(cccc2)c2[n]1cccc2)(C#[O])(C#[O])C#[O].S(=O)(=O)(C(F)(F)F)[O-]
• Title of publication: Organometallic Complexes with Terminal Imidazolato Ligands and Their Use as Metalloligands
• Authors of publication: Eva Gómez; Miguel Ángel Huertos; Julio Pérez; Lucía Riera; Amador Menéndez-Velázquez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9527 - 9534
• a: 18.978 Å
• b: 10.373 Å
• c: 16.684 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3284.39 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P c 21 n
• Hall space group symbol: P -2n -2ac
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No