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Information card for entry 4104840
Preview
Coordinates | 4104840.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H84 Cu8 F7 O12 P7 Se12 |
---|---|
Calculated formula | C36 H84 Cu8 F7 O12 P7 Se12 |
SMILES | C(C)(C)OP1(=[Se]2[Cu]3[Se]4P(=[Se]5[Cu]2[Se]2P(OC(C)C)(OC(C)C)=[Se]6[Cu]7[Se]8P(OC(C)C)(OC(C)C)=[Se]([Cu]4[Se]4P(OC(C)C)(OC(C)C)=[Se]3[Cu]3[Se]1[Cu]2[Se]7P(OC(C)C)(OC(C)C)=[Se]3[Cu]84)[Cu]56)(OC(C)C)OC(C)C)OC(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Octanuclear Copper(I) Clusters Inscribed in a Se12 Icosahedron: Anion-Induced Modulation of the Core Size and Symmetry |
Authors of publication | C. W. Liu; Bijay Sarkar; Yao-Jheng Huang; Ping-Kuei Liao; Ju-Chun Wang; Jean-Yves Saillard; Samia Kahlal |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 11222 - 11233 |
a | 24.2417 ± 0.0008 Å |
b | 13.1352 ± 0.0005 Å |
c | 24.8846 ± 0.0007 Å |
α | 90° |
β | 91.783 ± 0.001° |
γ | 90° |
Cell volume | 7919.9 ± 0.5 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1488 |
Residual factor for significantly intense reflections | 0.0535 |
Weighted residual factors for significantly intense reflections | 0.1204 |
Weighted residual factors for all reflections included in the refinement | 0.1495 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.859 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4104840.html
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structural data.