Information card for entry 4074767

Structure parameters

• Formula: C50 H45 Br3 N19 O9 Re3
• Calculated formula: C50 H45 Br3 N19 O9 Re3
• SMILES: [Re]1(Br)(C#[O])(C#[O])(C#[O])[n]2cccn2C(c2cc(C3n4ccc[n]4[Re](Br)(C#[O])(C#[O])(C#[O])[n]4cccn34)cc(C3n4ccc[n]4[Re](Br)(C#[O])(C#[O])(C#[O])[n]4cccn34)c2)n2ccc[n]12.C(#N)C.C(#N)C.C(#N)C.C(#N)C.C(#N)C.C(#N)C.C(#N)C
• Title of publication: Controlling the Addition of Metal Centers to a Bis(pyrazolyl)methane Starburst Ligand: Direct Routes to Mono-, Bi-, and Trimetallic Rhenium(I) Complexes
• Authors of publication: Reger, Daniel L.; Watson, Russell P.; Smith, Mark D.; Pellechia, Perry J.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 3
• Pages of publication: 743
• a: 14.1204 ± 0.0008 Å
• b: 18.5671 ± 0.0011 Å
• c: 24.4197 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6402.2 ± 0.6 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No