Information card for entry 8104766

Structure parameters

• Formula: C20 H24 Cl N3 Ni O4
• Calculated formula: C20 H24 Cl N3 Ni O4
• Title of publication: Crystal structure of dimethanol-dichlorido-bis( μ 2-2-(((1,5-dimethyl-3-oxo-2- phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino)methyl)phenolato- κ4 O:O,O′,N)dinickel (II), C20H24ClNiN3O4
• Authors of publication: Gu, Long; Pang, Haixia; Tang, Qiang; Min, Jie; Ma, Li; Pan, Peiran
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 3
• Pages of publication: 557 - 559
• a: 10.3831 ± 0.0007 Å
• b: 17.0139 ± 0.0012 Å
• c: 12.2649 ± 0.0009 Å
• α: 90°
• β: 102.623 ± 0.001°
• γ: 90°
• Cell volume: 2114.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0407
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No