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Information card for entry 7006116
Preview
Coordinates | 7006116.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H40 B4 Fe2 O8 |
---|---|
Calculated formula | C36 H40 B4 Fe2 O8 |
SMILES | B12[c]34[cH]5[cH]6[cH]7[cH]3[Fe]389%104567[c]4([cH]%10[cH]9[cH]8[cH]34)B3O[C@@H]4CC[C@@H]5OB([c]67[cH]8[cH]9[cH]%10[cH]6[Fe]6%11%12%13789%10[c]7([cH]%13[cH]%12[cH]%11[cH]67)B6O[C@@H]7CC[C@H](O1)[C@H](O2)CC[C@@H]7O6)O[C@@H]5CC[C@@H]4O3 |
Title of publication | Synthesis of polymeric and macrocyclic Lewis acids: influence of backbone on degree of aggregation. |
Authors of publication | Day, Joanna K.; Bresner, Chrisopher; Fallis, Ian A.; Ooi, Li-Ling; Watkin, David J.; Coles, Simon J.; Male, Louise; Hursthouse, Michael B.; Aldridge, Simon |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 32 |
Pages of publication | 3486 - 3488 |
a | 19.6222 ± 0.0011 Å |
b | 7.8609 ± 0.0003 Å |
c | 21.3982 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3300.6 ± 0.3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.1451 |
Residual factor for significantly intense reflections | 0.0905 |
Weighted residual factors for significantly intense reflections | 0.1459 |
Weighted residual factors for all reflections included in the refinement | 0.1676 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.219 |
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/7006116.html
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Users of the data should acknowledge the original authors of the
structural data.