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Information card for entry 7037532
Preview
Coordinates | 7037532.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C78 H123 N3 O26 P6 Sb4 Se2 |
---|---|
Calculated formula | C78 H123 N3 O26 P6 Sb4 Se2 |
SMILES | CC#N.[Sb]1234([OH][Sb]56(O[Sb]7([O]=[Se](O[Sb](O2)(OP(=O)(O1)C(C)(C)C)([O]=[Se](O7)c1ccccc1)(OP(=[O]4)(O)C(C)(C)C)c1ccc(C(C)C)cc1)c1ccccc1)(OP(=O)(O5)C(C)(C)C)(c1ccc(cc1)C(C)C)OP(=O)(O6)C(C)(C)C)(c1ccc(cc1)C(C)C)O3)c1ccc(cc1)C(C)C.P(=O)(O)(C(C)(C)C)O.P(=O)(O)(O)C(C)(C)C.C(#N)C.C(#N)C |
Title of publication | Monoorganoantimony(v) phosphonates and phosphoselininates. |
Authors of publication | Ugandhar, Uppara; Baskar, Viswanathan |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 14 |
Pages of publication | 6269 - 6274 |
a | 24.238 ± 0.002 Å |
b | 27.209 ± 0.002 Å |
c | 30.177 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 19901 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0918 |
Residual factor for significantly intense reflections | 0.0569 |
Weighted residual factors for significantly intense reflections | 0.1419 |
Weighted residual factors for all reflections included in the refinement | 0.17 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
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/7037532.html
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Users of the data should acknowledge the original authors of the
structural data.