Information card for entry 8106160

Structure parameters

• Formula: C36 H44 N8 Ni O12
• Calculated formula: C36 H44 N8 Ni O12
• Title of publication: Crystal structure of catena-poly[triaqua(μ2-1,2-bis(4-pyridyl)ethane-κ2 N:N′)-(1,2-bis(4-pyridyl)ethane-κN)nickel(II)] 2-aminonicotinate nitrate – 1,2-bis(4-pyridyl)ethane – water (2/1/8), C36H44N8NiO12
• Authors of publication: Wang, Yu-Fang; Wei, Jing-Jing; Zhai, Xiao-Hui
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 3
• Pages of publication: 383 - 385
• a: 10.6451 ± 0.0005 Å
• b: 12.1086 ± 0.0006 Å
• c: 17.26 ± 0.0007 Å
• α: 76.624 ± 0.004°
• β: 72.2 ± 0.004°
• γ: 70.802 ± 0.005°
• Cell volume: 1979.18 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0551
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No