Information card for entry 2208621

Structure parameters

• Chemical name: Dichloro(2,5-diphenyl-3,4-di-2-pyridylcyclopenta-2,4-dienone)cobalt(II)
• Formula: C27 H18 Cl2 Co N2 O
• Calculated formula: C27 H18 Cl2 Co N2 O
• SMILES: [Co]1(Cl)(Cl)[n]2c(C3=C(C(=O)C(=C3c3[n]1cccc3)c1ccccc1)c1ccccc1)cccc2
• Title of publication: Dichloro(2,5-diphenyl-3,4-di-2-pyridylcyclopenta-2,4-dienone)cobalt(II)
• Authors of publication: Aliakbar Dehno Khalaji; Mehdi Amirnasr; Jean-Claude Daran
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m687 - m689
• a: 7.2884 ± 0.0003 Å
• b: 15.258 ± 0.0008 Å
• c: 21.5709 ± 0.0009 Å
• α: 90°
• β: 101.001 ± 0.004°
• γ: 90°
• Cell volume: 2354.74 ± 0.19 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.0529
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No