Information card for entry 7034144

Structure parameters

• Formula: C30 H30 Cl2 N3 O5 Re S
• Calculated formula: C30 H30 Cl2 N3 O5 Re S
• SMILES: [Re]1234([cH]5[cH]1[cH]2[cH]3[c]45C(=O)NCCCCCOc1cc2sc(nc2cc1)c1ccc(N(C)C)cc1)(C#[O])(C#[O])C#[O].ClCCl
• Title of publication: 2-Phenylbenzothiazole conjugated with cyclopentadienyl tricarbonyl [CpM(CO)3] (M = Re, (99m)Tc) complexes as potential imaging probes for β-amyloid plaques.
• Authors of publication: Jia, Jianhua; Cui, Mengchao; Dai, Jiapei; Liu, Boli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 14
• Pages of publication: 6406 - 6415
• a: 7.8257 ± 0.0013 Å
• b: 13.264 ± 0.002 Å
• c: 15.137 ± 0.003 Å
• α: 100.455 ± 0.003°
• β: 90.162 ± 0.002°
• γ: 101.805 ± 0.002°
• Cell volume: 1511.2 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No