Information card for entry 8105318

Structure parameters

• Formula: C28 H24 Cl12 N4 Ni2 O18
• Calculated formula: C28 H24 Cl12 N4 Ni2 O18
• Title of publication: Crystal structure of tetraaqua-bis(2-((3,5,6-trichloropyridin-2-yl)oxy)acetato-κO)-nickel(II)—diaqua-bis(2-((3,5,6-trichloropyridin-2-yl)oxy)acetato-nickel(II), C28H24Cl12N4Ni2O18
• Authors of publication: Du, Zhong-Xiang; Li, Jun-Xia
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 4
• Pages of publication: 881 - 883
• a: 37.804 ± 0.0012 Å
• b: 6.086 ± 0.0002 Å
• c: 19.3025 ± 0.0006 Å
• α: 90°
• β: 98.104 ± 0.003°
• γ: 90°
• Cell volume: 4396.7 ± 0.2 ų
• Cell temperature: 291.8 ± 0.2 K
• Ambient diffraction temperature: 291.8 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No