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Information card for entry 4337188
Preview
Coordinates | 4337188.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H72 N32 Ni4 O4 |
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Calculated formula | C60 H72 N32 Ni4 O4 |
SMILES | c1cccc2[n]1[Ni]134([n]5ccccc5C(=[N]1O[Ni]15([NH2]CCC[NH]1CCC[NH2]5)([N]3=N#N)N=N#N)c1ncccc1)[N](=C2c1ccccn1)O[Ni]123([n]5ccccc5C(c5ccccn5)=[N]1O4)[n]1ccccc1C(=[N]2O[Ni]12([NH2]CCC[NH]1CCC[NH2]2)([N]3=N#N)N=N#N)c1ncccc1.CC#N.CC#N |
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 | 9.194 ± 0.004 Å |
b | 12.236 ± 0.004 Å |
c | 15.887 ± 0.006 Å |
α | 70.99 ± 0.02° |
β | 89.05 ± 0.02° |
γ | 87.42 ± 0.02° |
Cell volume | 1688.1 ± 1.1 Å3 |
Cell temperature | 105 ± 2 K |
Ambient diffraction temperature | 105 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0624 |
Residual factor for significantly intense reflections | 0.0506 |
Weighted residual factors for significantly intense reflections | 0.1322 |
Weighted residual factors for all reflections included in the refinement | 0.1432 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
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/4337188.html
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Users of the data should acknowledge the original authors of the
structural data.