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Information card for entry 7041489
Preview
Coordinates | 7041489.cif |
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Original paper (by DOI) | HTML |
Formula | C40 H52 Cl3 Fe2 N4 O |
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Calculated formula | C40 H52 Cl3 Fe2 N4 O |
SMILES | [N]1([Fe]2([Cl][Fe]3([O]4CCCC4)([n]4c5[n]2c(C=1C)ccc5ccc4C(=[N]3c1c(cccc1C(C)C)C(C)C)C)Cl)Cl)c1c(cccc1C(C)C)C(C)C |
Title of publication | Dinuclear oxidative addition reactions using an isostructural series of Ni2, Co2, and Fe2 complexes. |
Authors of publication | Behlen, Michael J.; Zhou, You-Yun; Steiman, Talia J.; Pal, Sudipta; Hartline, Douglas R.; Zeller, Matthias; Uyeda, Christopher |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2017 |
Journal volume | 46 |
Journal issue | 17 |
Pages of publication | 5493 - 5497 |
a | 17.933 ± 0.002 Å |
b | 12.679 ± 0.002 Å |
c | 18.838 ± 0.002 Å |
α | 90° |
β | 109.745 ± 0.003° |
γ | 90° |
Cell volume | 4031.4 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0793 |
Residual factor for significantly intense reflections | 0.0645 |
Weighted residual factors for significantly intense reflections | 0.1717 |
Weighted residual factors for all reflections included in the refinement | 0.1904 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7041489.html
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