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Information card for entry 4313541
Preview
Coordinates | 4313541.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H52 N24 Ni2 O19 |
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Calculated formula | C41 H52 N24 Ni2 O19 |
SMILES | [Ni]1234([OH2])[n]5ccccc5C(N)=[N]1NC1=[N]2NC(=N[N]2[Ni]56([OH2])([n]7c(C=2N)cccc7)[n]2ccccc2C(N)=[N]5NC2=[N]6NC(=N[N]3=C(N)c3[n]4cccc3)c3c2cccc3)c2c1cccc2.O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-].OC.O.O.O.O |
Title of publication | Self-Assembled Dinuclear, Trinuclear, Tetranuclear, Pentanuclear, and Octanuclear Ni(II) Complexes of a Series of Polytopic Diazine Based Ligands: Structural and Magnetic Properties |
Authors of publication | Zhiqiang Xu; Laurence K. Thompson; Victoria A. Milway; Liang Zhao; Timothy Kelly; David O. Miller |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 2950 - 2959 |
a | 14.9366 ± 0.0012 Å |
b | 18.6121 ± 0.0015 Å |
c | 20.5834 ± 0.0017 Å |
α | 90° |
β | 108.862 ± 0.002° |
γ | 90° |
Cell volume | 5414.9 ± 0.8 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0716 |
Residual factor for significantly intense reflections | 0.0445 |
Weighted residual factors for significantly intense reflections | 0.0993 |
Weighted residual factors for all reflections included in the refinement | 0.1103 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4313541.html
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