Information card for entry 4316948

Structure parameters

• Formula: C12 H30 Cd2 Cl4 N6
• Calculated formula: C12 H30 Cd2 Cl4 N6
• SMILES: C1[NH]2CC[NH]3[Cd]42(Cl)([NH2]C1(C3)C)[Cl][Cd]12([NH]3CC(C[NH]1CC3)(C)[NH2]2)([Cl]4)Cl
• Title of publication: Facially Coordinating Triamine Ligands with a Cyclic Backbone: Some Structure-Stability Correlations
• Authors of publication: Christian Neis; David Petry; Alexandre Demangeon; Bernd Morgenstern; Dirk Kuppert; Jochen Huppert; Stefan Stucky; Kaspar Hegetschweiler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10092 - 10107
• a: 9.3738 ± 0.0019 Å
• b: 10.777 ± 0.002 Å
• c: 10.695 ± 0.002 Å
• α: 90°
• β: 90.7 ± 0.03°
• γ: 90°
• Cell volume: 1080.3 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No