Information card for entry 7202689

Structure parameters

• Common name: NSBrCo Co(F6-acac)2 (1-(4-pyridyl)-2-(2,3,5,6-F4-4-Br- phenyl)ethene)2
• Chemical name: NSBrCo Co(F6-acac)2 [1-(4-pyridyl)-2-(2,3,5,6-F4-4-Br-phenyl)ethene]2
• Formula: C36 H14 Br2 Co F20 N2 O4
• Calculated formula: C36.004 H14 Br2 Co F20.012 N2 O4
• Title of publication: Attempted assembly of discrete coordination complexes into 1-D chains using halogen bonding or halogen?halogen interactions
• Authors of publication: Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 5
• Pages of publication: 421
• a: 8.9245 ± 0.0004 Å
• b: 9.0077 ± 0.0003 Å
• c: 13.0921 ± 0.0005 Å
• α: 86.37 ± 0.002°
• β: 86.442 ± 0.002°
• γ: 70.214 ± 0.002°
• Cell volume: 987.42 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No