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Information card for entry 4337187
Preview
Coordinates | 4337187.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H32 N12 Ni2 O3 |
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Calculated formula | C17 H32 N12 Ni2 O3 |
SMILES | [Ni]13[n]4c(C(=[N]O[Ni]25([NH2]CCC[N]2(CCC[NH2]5)C)([N]3=N#N)N=N#N)C)cccc4C(=[N]1=O)C.OC |
Title of publication | Anionic guests in prismatic cavities generated by enneanuclear nickel metallacycles. |
Authors of publication | Esteban, Jordi; Font-Bardia, Mercè; Escuer, Albert |
Journal of publication | Inorganic chemistry |
Year of publication | 2014 |
Journal volume | 53 |
Journal issue | 2 |
Pages of publication | 1113 - 1121 |
a | 12.742 ± 0.005 Å |
b | 12.023 ± 0.004 Å |
c | 16.827 ± 0.004 Å |
α | 90° |
β | 108.06 ± 0.02° |
γ | 90° |
Cell volume | 2450.8 ± 1.4 Å3 |
Cell temperature | 105 ± 2 K |
Ambient diffraction temperature | 105 ± 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 | 0.0402 |
Residual factor for significantly intense reflections | 0.0402 |
Weighted residual factors for significantly intense reflections | 0.0978 |
Weighted residual factors for all reflections included in the refinement | 0.0978 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.261 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4337187.html
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