Information card for entry 8102141

Structure parameters

• Chemical name: bis(4-nitro-2-((3-dimethylaminopropylimino)methyl)phenolato)- diisothiocyanato-nickel(II)
• Formula: C26 H34 N8 Ni O6 S2
• Calculated formula: C26 H34 N8 Ni O6 S2
• Title of publication: Crystal structure of bis(4-nitro-2-((3-dimethylamino-propylimino)methyl)- phenolato)-diisothiocyanato-nickel(II), Ni(C~12~H~17~N~3~O~3~)~2~ (NCS)~2~
• Authors of publication: Li, Wen-Hui
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 3
• Pages of publication: 255 - 256
• a: 7.247 ± 0.002 Å
• b: 10.045 ± 0.003 Å
• c: 11.324 ± 0.004 Å
• α: 96.668 ± 0.005°
• β: 105.805 ± 0.005°
• γ: 98.427 ± 0.005°
• Cell volume: 774 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1614
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 0.781
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No