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Information card for entry 7036882
Preview
Coordinates | 7036882.cif |
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Original paper (by DOI) | HTML |
Chemical name | 2,6-{Ph2PNMe}2(NC5H3)]CuBr |
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Formula | C31 H29 Br Cu N3 P2 |
Calculated formula | C31 H29 Br Cu N3 P2 |
SMILES | [Cu]12(Br)[P](N(c3[n]2c(N([P]1(c1ccccc1)c1ccccc1)C)ccc3)C)(c1ccccc1)c1ccccc1 |
Title of publication | Coinage metal complexes supported by a "PN(3)P" scaffold. |
Authors of publication | Rao, Gyandshwar Kumar; Gorelsky, Serge I.; Korobkov, Ilia; Richeson, Darrin |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 44 |
Pages of publication | 19153 - 19162 |
a | 9.2941 ± 0.0005 Å |
b | 11.2624 ± 0.0007 Å |
c | 14.7425 ± 0.0009 Å |
α | 83.4485 ± 0.001° |
β | 86.2809 ± 0.0009° |
γ | 68.4462 ± 0.0009° |
Cell volume | 1425.43 ± 0.15 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 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 | 0.0291 |
Residual factor for significantly intense reflections | 0.0242 |
Weighted residual factors for significantly intense reflections | 0.0626 |
Weighted residual factors for all reflections included in the refinement | 0.0646 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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