Information card for entry 4317752

Structure parameters

• Formula: C6 H4 I N O2
• Calculated formula: C6 H4 I N O2
• Title of publication: A Simultaneous Reduction, Substitution, and Self-Assembly Reaction under Hydrothermal Conditions Afforded the First Diiodopyridine Copper(I) Coordination Polymer
• Authors of publication: Jack Y. Lu; Amy M. Babb
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1339 - 1341
• a: 5.0407 ± 0.0005 Å
• b: 17.3128 ± 0.0018 Å
• c: 8.6393 ± 0.0009 Å
• α: 90°
• β: 95.042 ± 0.002°
• γ: 90°
• Cell volume: 751.02 ± 0.13 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No