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Information card for entry 4306069
Preview
Coordinates | 4306069.cif |
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Original paper (by DOI) | HTML |
Formula | C54 H73 Co N6 P |
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Calculated formula | C54 H73 Co N6 P |
SMILES | [Co]12([P](C)(C)C)(n3cccc3C=[N]1c1c(cccc1C(C)C)C(C)C)n1cccc1C=[N]2c1c(cccc1C(C)C)C(C)C.[nH]1cccc1/C=N\c1c(cccc1C(C)C)C(C)C |
Title of publication | Synthesis, Structure and Magnetic Behavior of Five-Coordinate Bis(iminopyrrolyl) Complexes of Cobalt(II) containing PMe3 and THF Ligands |
Authors of publication | Sónia A. Carabineiro; Ronan M. Bellabarba; Pedro T. Gomes; Sofia I. Pascu; Luís F. Veiros; Cristina Freire; Laura C. J. Pereira; Rui T. Henriques; M. Conceição Oliveira; John E. Warren |
Journal of publication | Inorganic Chemistry |
Year of publication | 2008 |
Journal volume | 47 |
Pages of publication | 8896 - 8911 |
a | 10.9676 ± 0.0002 Å |
b | 30.2749 ± 0.0004 Å |
c | 15.4792 ± 0.0003 Å |
α | 90° |
β | 92.761 ± 0.0007° |
γ | 90° |
Cell volume | 5133.79 ± 0.15 Å3 |
Cell temperature | 180 K |
Ambient diffraction temperature | 180 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1096 |
Residual factor for significantly intense reflections | 0.034 |
Weighted residual factors for all reflections | 0.0785 |
Weighted residual factors for significantly intense reflections | 0.0383 |
Weighted residual factors for all reflections included in the refinement | 0.0383 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1287 |
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/4306069.html
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Users of the data should acknowledge the original authors of the
structural data.