Information card for entry 2230834

Structure parameters

• Chemical name: <i>trans</i>,<i>trans</i>-[μ-(<i>m</i>-phenylene)bis(ethyne-1,2- diyl)]bis[chlorido(1,4,8,11-tetraazacyclotetradecane)cobalt(III)]‒ <i>trans</i>,<i>trans</i>-[μ-(5-bromo-<i>m</i>-phenylene)bis(ethyne-1,2- diyl)]bis[chlorido(1,4,8,11-tetraazacyclotetradecane)cobalt(III)]‒ tetraphenylborate‒acetone (0.88/0.12/2/4)
• Formula: C91.75 H115.88 B2 Br0.12 Cl2 Co2 N8 O4
• Calculated formula: C91.7542 H115.877 B2 Br0.1229 Cl2 Co2 N8 O4
• Title of publication: Crystallographic coincidence of two bridging species in a dinuclear Co^III^ ethynylbenzene complex
• Authors of publication: Hoffert, Wesley A.; Shores, Matthew P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m853 - m854
• a: 10.1434 ± 0.0004 Å
• b: 17.1412 ± 0.0007 Å
• c: 25.525 ± 0.0011 Å
• α: 92.609 ± 0.001°
• β: 96.864 ± 0.001°
• γ: 104.323 ± 0.001°
• Cell volume: 4256.2 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes