Information card for entry 4316943

Structure parameters

• Formula: C6 H22 Bi Cl6 N3 O2
• Calculated formula: C6 H22 Bi Cl6 N3 O2
• 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: 7.5641 ± 0.0003 Å
• b: 8.4708 ± 0.0004 Å
• c: 14.5577 ± 0.0006 Å
• α: 96.546 ± 0.002°
• β: 104.187 ± 0.002°
• γ: 103.4 ± 0.002°
• Cell volume: 865.16 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No