Information card for entry 7230863

Structure parameters

• Chemical name: {[Cd(NH3)5]2[Cd(NH3)4]3[Re3Mo3Se8(CN)6]2}Â.5H2O
• Formula: C12 H66 Cd5 Mo6 N34 O5 Re6 Se16
• Calculated formula: C12 H66 Cd5 Mo6.006 N34 O5 Re5.994 Se16
• 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: 10.2664 ± 0.0008 Å
• b: 17.7456 ± 0.0011 Å
• c: 22.3759 ± 0.0014 Å
• α: 85.142 ± 0.004°
• β: 86.718 ± 0.004°
• γ: 88.258 ± 0.004°
• Cell volume: 4053.9 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.142
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No