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Information card for entry 4323277
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4323277.cif |
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Original paper (by DOI) | HTML |
Common name | number 5 |
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Formula | C26 H42 Ni O4 |
Calculated formula | C26 H42 Ni O4 |
SMILES | CC1=C(C(=[O][Ni]2(O1)OC(=C(C(=[O]2)C)CCCCCCC=C)C)C)CCCCCCC=C |
Title of publication | Monomer-Trimer Isomerism in 3-Substituted Pentane-2,4-dione Derivatives of Nickel(II) |
Authors of publication | A. Döhring; R. Goddard; P. W. Jolly; C. Krüger; V. R. Polyakov |
Journal of publication | Inorganic Chemistry |
Year of publication | 1997 |
Journal volume | 36 |
Pages of publication | 177 - 183 |
a | 4.8449 ± 0.0005 Å |
b | 8.3202 ± 0.0008 Å |
c | 16.7918 ± 0.0011 Å |
α | 89.48 ± 0.004° |
β | 88.24 ± 0.004° |
γ | 77.299 ± 0.01° |
Cell volume | 660.01 ± 0.11 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0564 |
Residual factor for significantly intense reflections | 0.0524 |
Weighted residual factors for all reflections | 0.1538 |
Weighted residual factors for significantly intense reflections | 0.1504 |
Goodness-of-fit parameter for all reflections | 1.153 |
Goodness-of-fit parameter for significantly intense reflections | 1.186 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4323277.html
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