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Information card for entry 3000008
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Coordinates | 3000008.cif |
---|
Formula | C54 H74 N14 Ni O24 |
---|---|
Calculated formula | C54 H74 N14 Ni O24 |
SMILES | c1cc2ccc3c4c2[n](c1)[Ni]12([n]4ccc3)([n]3cccc4c3c3[n]2cccc3cc4)[n]2cccc3c2c2[n]1cccc2cc3.[O-]C(=O)Cn1c2C(=O)N(C)C(=O)N(c2nc1)C.[O-]C(=O)Cn1c2C(=O)N(C)C(=O)N(c2nc1)C.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O |
Authors of publication | Alfonso Fernández-Botello; Miguel Quirós; Juan M. Salas |
Journal of publication | Personal Communication to COD |
a | 27.063 ± 0.003 Å |
b | 16.349 ± 0.0013 Å |
c | 17.5384 ± 0.0015 Å |
α | 90° |
β | 125.301 ± 0.005° |
γ | 90° |
Cell volume | 6333.1 ± 1.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0551 |
Residual factor for significantly intense reflections | 0.0416 |
Weighted residual factors for significantly intense reflections | 0.1084 |
Weighted residual factors for all reflections included in the refinement | 0.117 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
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/3000008.html
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