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Information card for entry 2221451
Preview
Coordinates | 2221451.cif |
---|---|
Structure factors | 2221451.hkl |
Original IUCr paper | HTML |
Chemical name | (μ-3,4-Diacetylhexa-2,4-diene-2,5-diolato- κ^4^<i>O</i>^2^,<i>O</i>^3^:<i>O</i>^4^,<i>O</i>^5^)bis[aqua(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] bis(tetrafluoridoborate) monohydrate |
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Formula | C34 H34 B2 Cu2 F8 N4 O7 |
Calculated formula | C34 H34 B2 Cu2 F8 N4 O7 |
Title of publication | (μ-3,4-Diacetylhexa-2,4-diene-2,5-diolato-κ^4^<i>O</i>^2^,<i>O</i>^3^:<i>O</i>^4^,<i>O</i>^5^)bis[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] bis(tetrafluoridoborate) monohydrate |
Authors of publication | Tovilla, Jorge A.; Hernández-Ortega, Simón; Valdés-Martínez, Jesús |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 4 |
Pages of publication | m366 - m367 |
a | 11.5555 ± 0.0009 Å |
b | 12.0954 ± 0.0009 Å |
c | 15.4446 ± 0.0012 Å |
α | 67.654 ± 0.001° |
β | 78.89 ± 0.001° |
γ | 72.784 ± 0.001° |
Cell volume | 1899.2 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.109 |
Residual factor for significantly intense reflections | 0.0554 |
Weighted residual factors for significantly intense reflections | 0.1015 |
Weighted residual factors for all reflections included in the refinement | 0.1138 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.844 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2221451.html
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