Information card for entry 2223867

Structure parameters

• Chemical name: Dibromido(2,3,9,10-tetramethyl-1,4,8,11-tetraazacyclotetradeca-1,3,8,10- tetraene)cobalt(III) bromide
• Formula: C14 H24 Br3 Co N4
• Calculated formula: C14 H24 Br3 Co N4
• SMILES: Br[Co]123([N]4=C(C(C)=[N]2CCC[N]1=C(C(C)=[N]3CCC4)C)C)Br.[Br-]
• Title of publication: Dibromido(2,3,9,10-tetramethyl-1,4,8,11-tetraazacyclotetradeca-1,3,8,10-tetraene)cobalt(III) bromide
• Authors of publication: El-Ghamry, Hoda; Issa, Raafat; El-Baradie, Kamal; Masaoka, Shigeyuki; Sakai, Ken
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1378 - m1379
• a: 7.3888 ± 0.001 Å
• b: 7.5157 ± 0.001 Å
• c: 8.1929 ± 0.0011 Å
• α: 84.647 ± 0.01°
• β: 84.76 ± 0.01°
• γ: 84.094 ± 0.01°
• Cell volume: 449.04 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0163
• Residual factor for significantly intense reflections: 0.0161
• Weighted residual factors for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections included in the refinement: 0.0402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes