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Information card for entry 8102141
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Coordinates | 8102141.cif |
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Chemical name | bis(4-nitro-2-((3-dimethylaminopropylimino)methyl)phenolato)- diisothiocyanato-nickel(II) |
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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 Å3 |
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 |
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