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Information card for entry 7028101
Preview
Coordinates | 7028101.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H84 Cl2 Cu2 N16 O14 S8 |
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Calculated formula | C32 H84 Cl2 Cu2 N16 O14 S8 |
SMILES | C(N)(N)=[S][Cu]12([S]=C(N)N)[S](=C(N)N)[Cu]2([S]=C(N)N)([S]1=C(N)N)[S]=C(N)N.C(=S)(N)N.C1COCCOCCOCCOCCOCCO1.[Cl-].O1CCOCCOCCOCCOCCOCC1.[OH2].C(=S)(N)N.[Cl-].[OH2] |
Title of publication | Effects of non-molecular forces on molecular structure in tris(thiourea)copper(I) |
Authors of publication | Johnson, Karin; Steed, Jonathan W. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1998 |
Journal issue | 16 |
Pages of publication | 2601 |
a | 10.1764 ± 0.0004 Å |
b | 11.1352 ± 0.0004 Å |
c | 13.5561 ± 0.0004 Å |
α | 89.647 ± 0.001° |
β | 93.263 ± 0.001° |
γ | 99.868 ± 0.001° |
Cell volume | 1510.94 ± 0.09 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0332 |
Residual factor for significantly intense reflections | 0.0303 |
Weighted residual factors for significantly intense reflections | 0.0762 |
Weighted residual factors for all reflections included in the refinement | 0.0783 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.7107 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/7028101.html
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