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Information card for entry 2232781
Preview
Coordinates | 2232781.cif |
---|---|
Structure factors | 2232781.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[bis[3-(1<i>H</i>-imidazol-1-yl)-1-phenylpropan-1-one- κ<i>N</i>^3^]nickel(II)]-μ-oxalato- κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^] |
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Formula | C26 H24 N4 Ni O6 |
Calculated formula | C26 H24 N4 Ni O6 |
SMILES | [Ni]1([n]2ccn(c2)CCC(=O)c2ccccc2)([n]2ccn(c2)CCC(=O)c2ccccc2)[O]=C2C(O1)=[O][Ni]1(O2)(OC(=O)C(=O)O1)([n]1cn(CCC(=O)c2ccccc2)cc1)[n]1ccn(c1)CCC(=O)c1ccccc1 |
Title of publication | <i>catena</i>-Poly[[bis[3-(1<i>H</i>-imidazol-1-yl)-1-phenylpropan-1-one-κ<i>N</i>^3^]nickel(II)]-μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^] |
Authors of publication | Guo, Jian-Hua |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 12 |
Pages of publication | m1832 |
a | 15.3065 ± 0.0011 Å |
b | 5.6605 ± 0.0004 Å |
c | 27.536 ± 0.002 Å |
α | 90° |
β | 95.613 ± 0.001° |
γ | 90° |
Cell volume | 2374.3 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0614 |
Residual factor for significantly intense reflections | 0.045 |
Weighted residual factors for significantly intense reflections | 0.0879 |
Weighted residual factors for all reflections included in the refinement | 0.0956 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2232781.html
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