Information card for entry 4506162

Structure parameters

• Formula: C36.5 H25 Cl Cu2 I2 N6
• Calculated formula: C36.5 H25 Cl Cu2 I2 N6
• Title of publication: Novel Bis(4,4′-dipyridylamine) Ligand with a Flexible Butadiyne Linker: Syntheses, Structures, and Photoluminescence of d10Metal Coordination Polymers
• Authors of publication: Ding, Caixia; Li, Xing; Ding, Yubin; Li, Xin; Ng, Seik Weng; Xie, Yongshu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 3465
• a: 8.4628 ± 0.0012 Å
• b: 10.664 ± 0.0015 Å
• c: 11.8808 ± 0.0019 Å
• α: 80.511 ± 0.001°
• β: 70.403 ± 0.001°
• γ: 86.894 ± 0.002°
• Cell volume: 996.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.124
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No