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Information card for entry 7016689
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Coordinates | 7016689.cif |
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Original paper (by DOI) | HTML |
Common name | hb_01_37_01 |
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Formula | C16 H37 Br Cu N P2 |
Calculated formula | C16 H37 Br Cu N P2 |
SMILES | C(C)(C)[P]1(C(C)C)CC[NH]2CC[P](C(C)C)(C(C)C)[Cu]12Br |
Title of publication | Metal complexes of Co, Ni and Cu with the pincer ligand HN(CH(2)CH(2)P(i)Pr(2))(2): preparation, characterization and electrochemistry. |
Authors of publication | Rozenel, Sergio S.; Kerr, John B.; Arnold, John |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 40 |
Pages of publication | 10397 - 10405 |
a | 10.9127 ± 0.0017 Å |
b | 14.507 ± 0.002 Å |
c | 14.876 ± 0.002 Å |
α | 88.971 ± 0.002° |
β | 76.82 ± 0.002° |
γ | 70.614 ± 0.002° |
Cell volume | 2158.7 ± 0.5 Å3 |
Cell temperature | 127 ± 2 K |
Ambient diffraction temperature | 127 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0263 |
Residual factor for significantly intense reflections | 0.0211 |
Weighted residual factors for significantly intense reflections | 0.0507 |
Weighted residual factors for all reflections included in the refinement | 0.0527 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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