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Information card for entry 4345155
Preview
| Coordinates | 4345155.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H44 B10 Cu F6 N2 O P3 S2 |
|---|---|
| Calculated formula | C24 H44 B10 Cu F6 N2 O P3 S2 |
| SMILES | C1CCCO1.CC(C)(C)[P@@]12[C]3456[C]789([BH]%10%113[BH]3%12%13[BH]%145%10[BH]5%106[BH]6%15%16[BH]%177([BH]4856)[BH]3%15([BH]9%11%12%17)[BH]%13%14%10%16)[P@]3(C(C)(C)C)Sc4cccc[n]4[Cu]23[n]2ccccc2S1.F[P]([F-])(F)(F)(F)F.C1CCCO1.CC(C)(C)[P@]12[C]3456[C]789([BH]%10%113[BH]3%12%13[BH]%145%10[BH]5%106[BH]6%15%16[BH]%177([BH]4856)[BH]3%15([BH]9%11%12%17)[BH]%13%14%10%16)[P@@]3(C(C)(C)C)Sc4cccc[n]4[Cu]23[n]2ccccc2S1.F[P]([F-])(F)(F)(F)F |
| Title of publication | C2-Symmetric P,N Ligands Derived from Carborane-Based Diphosphetanes: Synthesis and Coordination Chemistry. |
| Authors of publication | Coburger, Peter; Schulz, Jan; Klose, Jennifer; Schwarze, Benedikt; Sárosi, Menyhárt B; Hey-Hawkins, Evamarie |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2017 |
| Journal volume | 56 |
| Journal issue | 1 |
| Pages of publication | 292 - 304 |
| a | 10.8533 ± 0.0005 Å |
| b | 16.9965 ± 0.0007 Å |
| c | 19.5336 ± 0.0009 Å |
| α | 90° |
| β | 90.089 ± 0.004° |
| γ | 90° |
| Cell volume | 3603.3 ± 0.3 Å3 |
| Cell temperature | 130 K |
| Ambient diffraction temperature | 130 K |
| Number of distinct elements | 9 |
| 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 | 0.1987 |
| Residual factor for significantly intense reflections | 0.1097 |
| Weighted residual factors for significantly intense reflections | 0.2409 |
| Weighted residual factors for all reflections included in the refinement | 0.2895 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 191273 (current) | 2017-02-04 | cif/ Adding structures of 4345150, 4345151, 4345152, 4345153, 4345154, 4345155, 4345156, 4345157 via cif-deposit CGI script. |
4345155.cif |
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