Information card for entry 2220837

Structure parameters

• Chemical name: [μ-10,22-Dichloro-3,6-bis(2-furylmethyl)-3,6,14,18- tetraazatricyclo[18.3.1.1^8,12^]pentacosa-1(23),8,10,12(25),13,18,20(24),21- octaene-24,25-diolato- κ^8^N^3^,N^6^,O^24^,O^25^:N^14^,N^18^,O^24^:O^25^]bis[chloridocopper(II)] acetonitrile solvate
• Formula: C33 H33 Cl4 Cu2 N5 O4
• Calculated formula: C33 H33 Cl4 Cu2 N5 O4
• SMILES: c12c3cc(cc1C[N]1(CC[N]4(Cc5c6c(cc(c5)Cl)C=[N]5CCC[N](=C3)[Cu]75(Cl)[O]2[Cu]14(Cl)[O]67)Cc1ccco1)Cc1ccco1)Cl.CC#N
• Title of publication: [μ-10,22-Dichloro-3,6-bis(2-furylmethyl)-3,6,14,18-tetraazatricyclo[18.3.1.1^8,12^]pentacosa-1(23),8,10,12(25),13,18,20(24),21-octaene-24,25-diolato-κ^8^<i>N</i>^3^,<i>N</i>^6^,<i>O</i>^24^,<i>O</i>^25^:<i>N</i>^14^,<i>N</i>^18^,<i>O</i>^24^:<i>O</i>^25^]bis[chloridocopper(II)] acetonitrile solvate
• Authors of publication: Chen, Chen; Cheng, Yu; Liu, Pan; Zhou, Hong; Pan, Zhi-Quan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m162
• a: 10.4439 ± 0.0019 Å
• b: 13.083 ± 0.004 Å
• c: 14.319 ± 0.003 Å
• α: 112.039 ± 0.003°
• β: 100.29 ± 0.004°
• γ: 98.259 ± 0.003°
• Cell volume: 1736.1 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0773
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes