Information card for entry 8107454

Structure parameters

• Chemical name: aqua(μ~2~-2,2',2''-((nitrilo)tris(ethane-2,1-diyl(nitrilo)methylylidene)) tris(6-ethoxyphenolato))(pentane-2,4-dionato-κ^2^O,O')-dinickel(II)
• Formula: C38 H48 N4 Ni2 O9
• Calculated formula: C38 H48 N4 Ni2 O9
• Title of publication: Crystal structure of aqua(μ2-2,2′,2″-((nitrilo)tris(ethane-2,1-diyl(nitrilo)methylylidene))tris (6-ethoxyphenolato))(pentane-2,4-dionato-κ2 O,O′)-dinickel(II), C38H48N4Ni2O9
• Authors of publication: Ha, Kwang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 2
• Pages of publication: 407 - 409
• a: 12.3498 ± 0.0005 Å
• b: 13.0376 ± 0.0006 Å
• c: 13.2909 ± 0.0005 Å
• α: 76.5677 ± 0.0014°
• β: 83.5128 ± 0.0013°
• γ: 62.3638 ± 0.0014°
• Cell volume: 1843.95 ± 0.14 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0444
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No