Information card for entry 4074766

Structure parameters

• Formula: C36 H30 Br2 N12 O7 Re2
• Calculated formula: C36 H30 Br2 N12 O7 Re2
• 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(C(n3cccn3)n3cccn3)c2)n2ccc[n]12.C(=O)(C)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: 8.8952 ± 0.0005 Å
• b: 14.7907 ± 0.0008 Å
• c: 16.1834 ± 0.0009 Å
• α: 89.662 ± 0.001°
• β: 86.394 ± 0.001°
• γ: 73.953 ± 0.001°
• Cell volume: 2042 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No