Information card for entry 4342302

Structure parameters

• Formula: C36 H60 Cl6 N8 Na4 O36 P4 Re2
• Calculated formula: C36 H57.04 Cl6 N8 Na4 O36 P4 Re2
• SMILES: [Re]1([n]2ccn(C[C@](P34=[O][Na]([O]([Na](O3)(Cl)Cl)P3(=[O][Na]([O]4[Na]([OH2])([OH2])(Cl)O3)(Cl)Cl)[C@](P(=O)([O-])[O-])(O)Cn3cc[n]([Re]4([n]5c(c6[n]4cccc6)cccc5)(C#[O])(C#[O])C#[O])c3)([OH2])([OH2])Cl)(P(=O)([O-])[O-])O)c2)([n]2c(c3[n]1cccc3)cccc2)(C#[O])(C#[O])C#[O].O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Imidazole-based [2 + 1] re(i)/(99m)tc(i) complexes as isostructural nuclear and optical probes.
• Authors of publication: Yazdani, Abdolreza; Janzen, Nancy; Banevicius, Laura; Czorny, Shannon; Valliant, John F.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1728 - 1736
• a: 7.8523 ± 0.0009 Å
• b: 8.8092 ± 0.0009 Å
• c: 23.923 ± 0.003 Å
• α: 92.108 ± 0.002°
• β: 92.974 ± 0.002°
• γ: 94.718 ± 0.002°
• Cell volume: 1645.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No