Information card for entry 7213676

Structure parameters

• Formula: C24 H22 Cl2 Co N4 O2
• Calculated formula: C24 H22 Cl2 Co N4 O2
• SMILES: [Co]1(Cl)(Cl)[n]2c3c(n(c2)CCOc2c(OCCn4c5c([n]1c4)cccc5)cccc2)cccc3
• Title of publication: Copper(ii) and cobalt(ii) complexes based on bis-benzimidazolyl ligand with 1,2-bis(2′-ethoxy)phenyl linker: synthesis, crystal structure and conformations
• Authors of publication: Liu, Qing-Xiang; Bi, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Jian-Hua; Wang, Xiu-Guang
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 10
• Pages of publication: 1950
• a: 9.7066 ± 0.0005 Å
• b: 10.7611 ± 0.0005 Å
• c: 13.1318 ± 0.0006 Å
• α: 112.448 ± 0.001°
• β: 96.662 ± 0.001°
• γ: 103.768 ± 0.001°
• Cell volume: 1198.16 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.032
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No