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Information card for entry 4313622
Preview
Coordinates | 4313622.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H84 Cl Cu8 F6 O12 P7 Se12 |
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Calculated formula | C36 H84 Cl Cu8 F6 O12 P7 Se12 |
SMILES | C(CC)OP1(OCCC)=[Se]2[Cu]34[Cl]5678[Cu]9%10[Se]%11[Cu]2[Se]([Cu]2%128)=P(OCCC)(OCCC)[Se]4[Cu]54[Se]5[Cu]8[Se](=P(OCCC)(OCCC)[Se]%124)[Cu]6([Se]2=P%11(OCCC)OCCC)[Se]9=P(OCCC)(OCCC)[Se]8[Cu]7([Se]1%10)[Se]3=P5(OCCC)OCCC.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Novel Chloride-Centered Discrete CuI8 Cubic Clusters Containing Diselenophosphate Ligands. Syntheses and Structures of {Cu8(μ8-Cl)[Se2P(OR)2]6}(PF6) (R = Et, Pr,iPr)1 |
Authors of publication | C. W. Liu; Chiu-Mine Hung; Bidyut Kumar Santra; Hsiu-Chih Chen; Hsueh; Ju-Chung Wang |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 3216 - 3220 |
a | 21.683 ± 0.003 Å |
b | 21.683 ± 0.003 Å |
c | 13.865 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 5645 ± 2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 8 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.0995 |
Residual factor for significantly intense reflections | 0.0683 |
Weighted residual factors for significantly intense reflections | 0.1705 |
Weighted residual factors for all reflections included in the refinement | 0.198 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
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/4313622.html
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