Information card for entry 4316945

Structure parameters

• Formula: C12 H32 Cl3 Co N6 O13
• Calculated formula: C12 H32 Cl3 Co N6 O13
• 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: 10.149 ± 0.002 Å
• b: 16.769 ± 0.003 Å
• c: 14.389 ± 0.003 Å
• α: 90°
• β: 100.11 ± 0.03°
• γ: 90°
• Cell volume: 2410.8 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No