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Information card for entry 1519738
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1519738.cif |
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Formula | C44 H46 Cl4 Co2 N16 O21 |
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Calculated formula | C44 H36 Cl4 Co2 N16 O21 |
SMILES | c1cccc2c3cccc4C(N)=[N]5[N]6=C(c7cccc8c9cccc[n]9[Co]9%106([n]78)[N](=C(c6cccc(c7cccc[n]%107)[n]96)N)[N]6=C(c7cccc8c9cccc[n]9[Co]56([n]12)([n]34)[n]78)N)N.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.O.O.O.O.O |
Title of publication | C44H46Cl4Co2N16O21 |
Authors of publication | Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2004 |
Pages of publication | 992 |
a | 25.808 ± 0.005 Å |
b | 11.9889 ± 0.0008 Å |
c | 17.384 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5378.8 ± 1.4 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0827 |
Residual factor for significantly intense reflections | 0.0568 |
Weighted residual factors for significantly intense reflections | 0.1381 |
Weighted residual factors for all reflections included in the refinement | 0.1512 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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