Information card for entry 4311182

Structure parameters

• Formula: C38 H56 N8 O16 Re4
• Calculated formula: C38 H52 N8 O16 Re4
• SMILES: C(#[O])[Re]12(C#[O])(C#[O])[N]#C[Re]3(C#[O])(C#[O])(C#[O])O[Re](C#[O])(C#[O])(C#[O])(C#[N][Re](O1)(C#[O])(C#[O])(C#[O])O2)O3.C(C)[N+](CC)(CC)CC.C(#N)C.CC#N.C(C)[N+](CC)(CC)CC.CC#N.CC#N
• Title of publication: [TcI(CN)3(CO)3]2- and [ReI(CN)3(CO)3]2-: Case Studies for the Binding Properties of CN- and CO
• Authors of publication: Philipp Kurz; Bernhard Spingler; Thomas Fox; Roger Alberto
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3789 - 3791
• a: 15.7422 ± 0.0012 Å
• b: 18.2865 ± 0.0009 Å
• c: 18.0539 ± 0.0012 Å
• α: 90°
• β: 93.103 ± 0.009°
• γ: 90°
• Cell volume: 5189.6 ± 0.6 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No