Information card for entry 4513168

Structure parameters

• Formula: C78 H48 Co3 N10 O24
• Calculated formula: C78 H48 Co3 N10 O24
• Title of publication: Two New Adenine-Based Co(II) Coordination Polymers: Synthesis, Crystal Structure, Coordination Modes, and Reversible Hydrochromic Behavior
• Authors of publication: Burneo, Iván; Stylianou, Kyriakos C.; Rodríguez-Hermida, Sabina; Juanhuix, Jordi; Fontrodona, Xavier; Imaz, Inhar; Maspoch, Daniel
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 3182
• a: 9.77 Å
• b: 17.33 Å
• c: 22.71 Å
• α: 90°
• β: 100.9°
• γ: 90°
• Cell volume: 3775.75 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1304
• Residual factor for significantly intense reflections: 0.1265
• Weighted residual factors for significantly intense reflections: 0.4527
• Weighted residual factors for all reflections included in the refinement: 0.4673
• Goodness-of-fit parameter for all reflections included in the refinement: 2.403
• Diffraction radiation wavelength: 0.79474 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No