Information card for entry 4306692

Structure parameters

• Chemical name: Di-μ-Carbonyl-bis(pyridino-tricarbonyltechnetium)
• Formula: C18 H10 N2 O8 Tc2
• Calculated formula: C18 H10 N2 O8 Tc2
• SMILES: [Tc]1([n]2ccccc2)(C#[O])(C#[O])(C#[O])C([Tc]([n]2ccccc2)(C1=O)(C#[O])(C#[O])C#[O])=O
• Title of publication: C-H Bond Activation of Coordinated Pyridine: Ortho-Pyridyl-Ditechnetiumhydridocarbonyl Metal Cyclus. Crystal Structure and Dynamic Behavior in Solution
• Authors of publication: Maaz Zuhayra; Ulf Lützen; Arne Lützen; Laszlo Papp; Eberhard Henze; Gernot Friedrichs; Franz Oberdorfer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10177 - 10182
• a: 18.116 ± 0.016 Å
• b: 10.359 ± 0.008 Å
• c: 12.148 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2280 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections: 0.1457
• Weighted residual factors for significantly intense reflections: 0.1377
• Goodness-of-fit parameter for all reflections: 1.103
• Goodness-of-fit parameter for significantly intense reflections: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No