Information card for entry 8105932

Structure parameters

• Formula: C26 H21 N6 O6.5 Zn
• Calculated formula: C26 H21 N6 O6.5 Zn
• Title of publication: Crystal structure of catena-poly[(μ2-isophthalato-κ2 O:O′)-(2,5-di(pyrazin-2-yl)-4,4′-bipyridine-κ3 N,N′,N′′)zinc(II)] — water (2/5), C26H21N6O6.5Zn
• Authors of publication: Wang, Yu-Fang; Zhang, Yong-Hua
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 5
• Pages of publication: 1043 - 1045
• a: 18.3123 ± 0.0003 Å
• b: 8.97463 ± 0.00015 Å
• c: 30.1437 ± 0.0005 Å
• α: 90°
• β: 99.5396 ± 0.0016°
• γ: 90°
• Cell volume: 4885.49 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No