Information card for entry 4349261

Structure parameters

• Formula: C62 H66 Cd2 N6 O2 S6 Si2
• Calculated formula: C62 H66 Cd2 N6 O2 S6 Si2
• SMILES: [Cd]123([n]4c(SC1(Sc1[n]3cccc1)Sc1ncccc1)cccc4)[O]([Cd]13(C(Sc4[n]1cccc4)(Sc1[n]3cccc1)Sc1ncccc1)[O]2[Si](C)(C)C)[Si](C)(C)C.c1ccccc1.c1ccccc1.c1ccccc1.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: 9.78 ± 0.004 Å
• b: 11.925 ± 0.005 Å
• c: 16.401 ± 0.006 Å
• α: 69.745 ± 0.013°
• β: 74.755 ± 0.009°
• γ: 67.968 ± 0.01°
• Cell volume: 1643.9 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1452
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No