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Information card for entry 7006273
Preview
Coordinates | 7006273.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C68 H70 Cu4 O8 P6 Se6 |
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Calculated formula | C68 H70 Cu4 O8 P6 Se6 |
SMILES | c1(ccccc1)P(=O)(O)[Se]1[Cu]234[Cu]561([P](c1ccccc1)(c1ccccc1)c1ccccc1)[Se]1=P(c7ccccc7)(O)[Se]2[Cu]274([P](c4ccccc4)(c4ccccc4)c4ccccc4)[Cu]61([Se]2P(=O)(c1ccccc1)O)[Se]5=P(c1ccccc1)(O)[Se]37.O1CCCC1.O1CCCC1 |
Title of publication | Novel P-Se anions and their copper complexes. |
Authors of publication | Shi, Weifeng; Shafaei-Fallah, Maryam; Rothenberger, Alexander |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 38 |
Pages of publication | 4255 - 4257 |
a | 11.405 ± 0.002 Å |
b | 14.758 ± 0.003 Å |
c | 21.031 ± 0.004 Å |
α | 90° |
β | 93.39 ± 0.03° |
γ | 90° |
Cell volume | 3533.6 ± 1.2 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0806 |
Residual factor for significantly intense reflections | 0.0543 |
Weighted residual factors for significantly intense reflections | 0.1308 |
Weighted residual factors for all reflections included in the refinement | 0.1413 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
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/7006273.html
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