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Information card for entry 7040646
Preview
Coordinates | 7040646.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C72 H84 N16 S10 Sn6 |
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Calculated formula | C72 H84 N16 S10 Sn6 |
SMILES | C1(C)(C)[Sn]23(S[Sn]45([N](/N=C(\C)c6nc(c7ncccc7)ccc6)=C(CC5(C)C)C)S[Sn]5([S]24)(S[Sn]24(S[Sn]67(C(C)(C)CC(C)=[N]6/N=C(C)/c6nc(ccc6)c6ncccc6)S[Sn]6([N](/N=C(C)/c8nc(ccc8)c8ncccc8)=C(CC6(C)C)C)(S2)[S]47)S5)S3)[N](=C(C1)C)/N=C(C)/c1nc(ccc1)c1ccccn1 |
Title of publication | {[Ir3(cod)3(μ3-S)2](μ3-S)SnCl}2 - a ternary Ir-Sn-S cluster with the iridium atoms in three different chemical environments. |
Authors of publication | Leusmann, Eliza; Geringer, Eugenie; Weinert, Bastian; Dehnen, Stefanie |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 39 |
Pages of publication | 15298 - 15302 |
a | 10.8761 ± 0.0002 Å |
b | 38.3489 ± 0.0007 Å |
c | 10.6185 ± 0.0002 Å |
α | 90° |
β | 94.92 ± 0.002° |
γ | 90° |
Cell volume | 4412.51 ± 0.14 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0513 |
Residual factor for significantly intense reflections | 0.0377 |
Weighted residual factors for significantly intense reflections | 0.0867 |
Weighted residual factors for all reflections included in the refinement | 0.0917 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
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/7040646.html
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Users of the data should acknowledge the original authors of the
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