Information card for entry 4349257

Structure parameters

• Formula: C40 H30 Cd2 N8 O2 S6
• Calculated formula: C40 H30 Cd2 N8 O2 S6
• SMILES: [O]1=C=N[Cd]234([n]5c(cccc5)SC3(Sc3[n]2cccc3)Sc2[n]4cccc2)[O]=C=N[Cd]2341C(Sc1[n]2cccc1)(Sc1[n]3cccc1)Sc1[n]4cccc1.c1ccccc1
• Title of publication: Cadmium Compounds with an [N₃C] Atrane Motif: Evidence for the Generation of a Cadmium Hydride Species.
• Authors of publication: Chakrabarti, Neena; Ruccolo, Serge; Parkin, Gerard
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 23
• Pages of publication: 12105 - 12109
• a: 31.79 ± 0.008 Å
• b: 10.148 ± 0.003 Å
• c: 13.907 ± 0.004 Å
• α: 90°
• β: 111.394 ± 0.004°
• γ: 90°
• Cell volume: 4177 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0747
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No