Information card for entry 8101713

Structure parameters

• Chemical name: N,O-(1-methyl-3-oxobutyliden)-N',N"-(1-methyl-2-isonitroso- 3-oxo-3-phenyl-propyliden)ethylenediaminenickel(II)
• Formula: C17 H19 N3 Ni O3
• Calculated formula: C51 H57 N9 Ni3 O9
• Title of publication: Crystal structure of N,O-(1-methyl-3-oxobutyliden)-N',N"-(1-methyl- 2-isonitroso-3-oxo-3-phenyl-propyliden)ethylenediaminenickel(II), Ni(C~17~H~19~N~3~O~3~)
• Authors of publication: Y.-L. Feng; G.-J. Zhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 1
• Pages of publication: 97 - 98
• a: 23.241 ± 0.003 Å
• b: 23.241 ± 0.003 Å
• c: 17.08 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7990 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1644
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.205
• Weighted residual factors for all reflections included in the refinement: 0.243
• 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