Information card for entry 4517096

Structure parameters

• Formula: C42 H34 Cl2 Co N12 O2
• Calculated formula: C42 H34 Cl2 Co N12 O2
• SMILES: [Co]123([n]4c5ccccc5[nH]c4c4[n]1c1c([nH]4)cccc1)([n]1c4ccccc4[nH]c1c1[n]2c2c([nH]1)cccc2)[n]1c2ccccc2[nH]c1c1[n]3c2ccccc2[nH]1.[Cl-].[Cl-].O.O
• Title of publication: Syntheses and Crystal Structures of Metal Complexes with 2,2′-Biimidazole-like Ligand and Chloride: Investigation of X−H···Cl (X = N, O, and C) Hydrogen Bonding and Cl−π (imidazolyl) Interactions
• Authors of publication: Zhong, Yong-Rui; Cao, Man-Li; Mo, Hao-Jun; Ye, Bao-Hui
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 2282
• a: 12.661 ± 0.001 Å
• b: 20.958 ± 0.0017 Å
• c: 15.4746 ± 0.0012 Å
• α: 90°
• β: 95.767 ± 0.002°
• γ: 90°
• Cell volume: 4085.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1144
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.1924
• Weighted residual factors for all reflections included in the refinement: 0.2176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No