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Information card for entry 7046697
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Coordinates | 7046697.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H10 Cu O4 Se2 |
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Calculated formula | C12 H10 Cu O4 Se2 |
Title of publication | Synthesis of first row transition metal selenomaltol complexes. |
Authors of publication | Spiegel, Michael T.; Hoogerbrugge, Amanda; Truksa, Shamus; Smith, Andrew G.; Shuford, Kevin L.; Klausmeyer, Kevin K.; Farmer, Patrick J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2018 |
Journal volume | 47 |
Journal issue | 27 |
Pages of publication | 9030 - 9037 |
a | 7.4765 ± 0.0003 Å |
b | 13.1079 ± 0.0005 Å |
c | 6.9501 ± 0.0002 Å |
α | 90° |
β | 100.99 ± 0.0013° |
γ | 90° |
Cell volume | 668.63 ± 0.04 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0218 |
Residual factor for significantly intense reflections | 0.0199 |
Weighted residual factors for significantly intense reflections | 0.0489 |
Weighted residual factors for all reflections included in the refinement | 0.0499 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.144 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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