Information card for entry 4103316

Structure parameters

• Chemical name: hexacarbonyldi-μ-chloro(μ-4,5-bis(trimethylsilyl)pyridazine-κN1:κN2) dirhenium
• Formula: C16 H20 Cl2 N2 O6 Re2 Si2
• Calculated formula: C16 H20 Cl2 N2 O6 Re2 Si2
• SMILES: C(#[O])[Re]12(C#[O])([n]3cc([Si](C)(C)C)c(c[n]3[Re]([Cl]1)(C#[O])(C#[O])(C#[O])[Cl]2)[Si](C)(C)C)C#[O]
• Title of publication: Highly Emitting Concomitant Polymorphic Crystals of a Dinuclear Rhenium Complex
• Authors of publication: Elsa Quartapelle Procopio; Matteo Mauro; Monica Panigati; Daniela Donghi; Pierluigi Mercandelli; Angelo Sironi; Giuseppe D'Alfonso; Luisa De Cola
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 14397 - 14399
• a: 10.99 ± 0.002 Å
• b: 12.734 ± 0.002 Å
• c: 18.542 ± 0.002 Å
• α: 90°
• β: 101.8 ± 0.02°
• γ: 90°
• Cell volume: 2540.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0348
• Weighted residual factors for all reflections included in the refinement: 0.0359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No