Information card for entry 4501432

Structure parameters

• Formula: C24 H22 Cu2 I2 N4
• Calculated formula: C24 H22 Cu2 I2 N4
• SMILES: [I]1[Cu]23[I][Cu]12[n]1c(Cc2ccc(cc2)Cc2[n]3c3ccccc3n2C)n(c2c1cccc2)C
• Title of publication: Coordination Polymers of Flexible Bis(benzimidazole) Ligand: Halogen Bridging and Metal···Arene Interactions
• Authors of publication: Samai, Suman; Biradha, Kumar
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 5723
• a: 8.7244 ± 0.0017 Å
• b: 10.227 ± 0.002 Å
• c: 14.472 ± 0.003 Å
• α: 89.265 ± 0.006°
• β: 78.105 ± 0.005°
• γ: 74.384 ± 0.006°
• Cell volume: 1215.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 0.835
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No