Information card for entry 7228187

Structure parameters

• Formula: C116 H90 Ag2 N4 O4 P6 Re2
• Calculated formula: C116 H90 Ag2 N4 O4 P6 Re2
• SMILES: [Ag]1([N]#C[Re](C#[O])(C#[O])([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)C#[N][Ag]([N]#C[Re](C#[O])(C#[O])([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)C#[N]1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: On the Rhenium(I)‒Silver(I) Cyanide Porous Macrocyclic Clusters
• Authors of publication: Krawczyk, Monika K.; Bikas, Rahman; Krawczyk, Marta S.; Lis, Tadeusz
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 12.864 ± 0.004 Å
• b: 14.241 ± 0.004 Å
• c: 15.442 ± 0.005 Å
• α: 93.85 ± 0.03°
• β: 107.03 ± 0.03°
• γ: 110.46 ± 0.03°
• Cell volume: 2488.5 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0838
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No