Information card for entry 2237409

Structure parameters

• Chemical name: <i>rac</i>-Dichlorido[3-ethoxy-3-(1-ethyl-1<i>H</i>-benzimidazol-2-yl)-2,3- dihydro-1<i>H</i>-pyrrolo[1,2-<i>a</i>]benzimidazole]copper(II)
• Formula: C21 H22 Cl2 Cu N4 O
• Calculated formula: C21 H22 Cl2 Cu N4 O
• SMILES: [Cu]1(Cl)(Cl)[n]2c(n(c3c2cccc3)CC)C2(OCC)c3n(c4c([n]13)cccc4)CC2
• Title of publication: <i>rac</i>-Dichlorido[3-ethoxy-3-(1-ethyl-1<i>H</i>-benzimidazol-2-yl)-2,3-dihydro-1<i>H</i>-pyrrolo[1,2-<i>a</i>]benzimidazole]copper(II)
• Authors of publication: Stibrany, Robert T.; Potenza, Joseph A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: m92 - m93
• a: 8.9409 ± 0.0017 Å
• b: 9.5209 ± 0.0018 Å
• c: 14.323 ± 0.003 Å
• α: 106.973 ± 0.004°
• β: 92.373 ± 0.004°
• γ: 113.778 ± 0.004°
• Cell volume: 1049.4 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes