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Information card for entry 7029622
Preview
Coordinates | 7029622.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H42 Cl Fe N2 O2 |
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Calculated formula | C28 H42 Cl Fe N2 O2 |
SMILES | c12c(cc(cc1C[N]13Cc4c(c(cc(c4)C(C)(C)C)C(C)(C)C)O[Fe]3(Cl)([N](CC1)(C)C)O2)C)C |
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 | 11.477 ± 0.004 Å |
b | 17.017 ± 0.006 Å |
c | 14.198 ± 0.005 Å |
α | 90° |
β | 96.999 ± 0.006° |
γ | 90° |
Cell volume | 2752.3 ± 1.7 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 | 0.0494 |
Residual factor for significantly intense reflections | 0.0379 |
Weighted residual factors for significantly intense reflections | 0.0933 |
Weighted residual factors for all reflections included in the refinement | 0.098 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
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/7029622.html
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