Information card for entry 4106544

Structure parameters

• Formula: C25.33 H23.33 Br0.67 Ni0.67 P1.33
• Calculated formula: C25.3333 H23.3333 Br0.666667 Ni0.666667 P1.33333
• Title of publication: Design and Synthesis of Monofunctionalized, Water-Soluble Conjugated Polymers for Biosensing and Imaging Applications
• Authors of publication: Christopher A. Traina; Ronald C. Bakus II; Guillermo C. Bazan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 12600 - 12607
• a: 8.446 ± 0.003 Å
• b: 13.046 ± 0.004 Å
• c: 15.923 ± 0.005 Å
• α: 70.057 ± 0.004°
• β: 85.699 ± 0.005°
• γ: 78.622 ± 0.004°
• Cell volume: 1616.8 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0639
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.245
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No