Information card for entry 7012930

Structure parameters

• Common name: [CoBr2(4,7-phen)].MeCN
• Chemical name: cobalt(II) bromide 4,7-phenanthroline acetonitrile solvate
• Formula: C14 H11 Br2 Co N3
• Calculated formula: C14 H11 Br2 Co N3
• Title of publication: The r�le of 4,7-phenanthroline in coordination polymer construction
• Authors of publication: Barnett, Sarah A.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 2387
• a: 10.7897 ± 0.0008 Å
• b: 8.2552 ± 0.0007 Å
• c: 17.0355 ± 0.0013 Å
• α: 90°
• β: 97.471 ± 0.001°
• γ: 90°
• Cell volume: 1504.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No