Information card for entry 7113346

Structure parameters

• Formula: C30 H24 Br N4 O5 Re
• Calculated formula: C30 H24 Br N4 O5 Re
• SMILES: [Re]12([N](Cc3[n]1c1c(cc3)cccc1)(Cc1[n]2c2c(cc1)cccc2)CCCN1C(=O)C=CC1=O)(C#[O])(C#[O])C#[O].[Br-]
• Title of publication: Site directed maleimide bifunctional chelators for the M(CO)3+ core (M =(99m)Tc, Re).
• Authors of publication: Banerjee, Sangeeta Ray; Babich, John W.; Zubieta, Jon
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2005
• Journal issue: 13
• Pages of publication: 1784 - 1786
• a: 11.639 ± 0.002 Å
• b: 11.829 ± 0.002 Å
• c: 13.249 ± 0.003 Å
• α: 65.3 ± 0.003°
• β: 77.198 ± 0.003°
• γ: 72.582 ± 0.003°
• Cell volume: 1571.4 ± 0.5 ų
• Cell temperature: 96 ± 2 K
• Ambient diffraction temperature: 96 ± 2 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: 0.0602
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No