Information card for entry 4076979

Structure parameters

• Common name: dichloride[Bis(1-(2-(5-Methylfuryl)methylene)-2-(2-(5-methylfuryl))benzimidazo le)]copper(II)
• Formula: C36 H32 Cl2 Cu N4 O4
• Calculated formula: C36 H32 Cl2 Cu N4 O4
• SMILES: c12ccccc2n(c(c2ccc(o2)C)[n]1[Cu](Cl)([n]1c2ccccc2n(c1c1ccc(o1)C)Cc1oc(cc1)C)Cl)Cc1oc(cc1)C
• Title of publication: Controllable Supramolecular Assembly by π−π Interactions: Cobalt(II) and Copper(II) Complexes with Benzimidazole Derivatives
• Authors of publication: Sun, Wen-Hua; Shao, Changxing; Chen, Yong; Hu, Huaiming; Sheldon, Roger A.; Wang, Honggen; Leng, Xuebing; Jin, Xianglin
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 21
• Pages of publication: 4350
• a: 22.15 ± 0.006 Å
• b: 9.363 ± 0.003 Å
• c: 17.882 ± 0.005 Å
• α: 90°
• β: 115.561 ± 0.005°
• γ: 90°
• Cell volume: 3345.6 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No