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Information card for entry 7029621
Preview
Coordinates | 7029621.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H26 Cl2 N2 O2 |
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Calculated formula | C20 H26 Cl2 N2 O2 |
Title of publication | New diamino-diheterophenol ligands coordinate iron(iii) to make structural and functional models of protocatechuate 3,4-dioxygenase. |
Authors of publication | Farrell, Joshua R.; Niconchuk, Jonathan A.; Renehan, Peter R.; Higham, Christine S.; Yoon, Eric; Andrews, Mark V.; Shaw, Janet L.; Cetin, Anil; Engle, James; Ziegler, Christopher J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 18 |
Pages of publication | 6610 - 6613 |
a | 8.3776 ± 0.0017 Å |
b | 13.897 ± 0.003 Å |
c | 16.716 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1946.1 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0669 |
Residual factor for significantly intense reflections | 0.0564 |
Weighted residual factors for significantly intense reflections | 0.1478 |
Weighted residual factors for all reflections included in the refinement | 0.1543 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.968 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7029621.html
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