Information card for entry 8106166

Structure parameters

• Formula: C28 H26 Co N6 O5
• Calculated formula: C28 H26 Co N6 O5
• Title of publication: Crystal structure of the 2D coordination polymer poly[aqua(μ2-2,2′-(1,2-phenylene)diacetato-κ3 O,O′:O′)-(μ2-4,4′-bis((1H-1,2,4-triazol-1-yl)methyl)-1,1′-biphenyl-κ2 N:N′)cobalt(II)], C28H26CoN6O5
• Authors of publication: Ling-Yun, Xin; Yun-Ping, Li; Guang-Zhen, Liu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 3
• Pages of publication: 405 - 407
• a: 13.2393 ± 0.0008 Å
• b: 8.6608 ± 0.0005 Å
• c: 22.4553 ± 0.0012 Å
• α: 90°
• β: 91.073 ± 0.002°
• γ: 90°
• Cell volume: 2574.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0494
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No