Information card for entry 4316946

Structure parameters

• Formula: C12 H32 Br3 Co N6 O
• Calculated formula: C12 H30 Br3 Co N6 O
• 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: 14.707 ± 0.003 Å
• b: 7.2965 ± 0.0015 Å
• c: 18.477 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1982.8 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No