Information card for entry 7230864

Structure parameters

• Formula: C6 H36 Cd3 I Mo3 N18 Re3 Se8
• Calculated formula: C6 H36 Cd3 I Mo3 N18 Re3 Se8
• Title of publication: Stabilization of interpenetrating cluster-based frameworks promoted by N-H…X hydrogen bonds: synthesis, structures and properties of {[Cd(NH3)4]3[Re3Mo3Se8(CN)6]}X (X = Cl, Br and I)
• Authors of publication: Muravieva, Viktoria K.; Gayfulin, Yakov M.; Lemoine, Pierric; Cordier, stéphane; Naumov, Nikolay G.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• a: 15.3596 ± 0.0014 Å
• b: 15.3596 Å
• c: 15.3897 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3144.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No