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Information card for entry 7115632
Preview
Coordinates | 7115632.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C75 H66 F12 N18 O P2 Ru |
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Calculated formula | C75 H66 F12 N18 O P2 Ru |
SMILES | [Ru]123([n]4c(cccc4)c4[n]1n(cc4)Cc1ccc(Cn4nc(c5ncccc5)cc4)cc1)([n]1c(cccc1)c1[n]2n(cc1)Cc1ccc(Cn2nc(c4ncccc4)cc2)cc1)[n]1c(cccc1)c1[n]3n(cc1)Cc1ccc(Cn2nc(c3ncccc3)cc2)cc1.CC(=O)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Stepwise assembly of an adamantoid Ru4Ag6 cage by control of metal coordination geometry at specific sites |
Authors of publication | Alexander J. Metherell; Michael D. Ward |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 10979 |
a | 23.24 ± 0.0017 Å |
b | 13.2721 ± 0.0009 Å |
c | 47.443 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 14633.5 ± 1.7 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 | 0.1537 |
Residual factor for significantly intense reflections | 0.1329 |
Weighted residual factors for significantly intense reflections | 0.3021 |
Weighted residual factors for all reflections included in the refinement | 0.3103 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.197 |
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/7115632.html
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