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Information card for entry 7006994
Preview
Coordinates | 7006994.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H45 Cl Cu N7 O3 |
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Calculated formula | C33 H45 Cl Cu N7 O3 |
SMILES | [Cu]12(Cl)[N](Cc3[n]1c(ccc3)NC(=O)C(C)(C)C)(Cc1nc(ccc1)NC(=O)C(C)(C)C)Cc1[n]2c(ccc1)NC(=O)C(C)(C)C |
Title of publication | The strength of hydrogen bonding to metal-bound ligands can contribute to changes in the redox behaviour of metal centres. |
Authors of publication | Mareque Rivas, Juan C.; Hinchley, Sarah L.; Metteau, Laurent; Parsons, Simon |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 19 |
Pages of publication | 2316 - 2322 |
a | 10.1526 ± 0.0002 Å |
b | 18.4259 ± 0.0003 Å |
c | 18.6888 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3496.13 ± 0.11 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0664 |
Residual factor for significantly intense reflections | 0.0555 |
Weighted residual factors for significantly intense reflections | 0.1184 |
Weighted residual factors for all reflections included in the refinement | 0.123 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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