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Information card for entry 4328401
Preview
| Coordinates | 4328401.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C180 H108 B8 F56 N36 Pd8 |
|---|---|
| Calculated formula | C180 H108 B8 F56 N36 Pd8 |
| SMILES | [B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].c1ccc2ccc3ccc[n]4c3c2[n]1[Pd]14n2c(C(F)(F)F)cc3[n]2[Pd]2([n]4cccc5ccc6ccc[n]2c6c45)[n]2n1c(cc2C(F)(F)F)c1cc2c(cc1)n(C)c1ccc(cc21)c1cc(C(F)(F)F)[n]2n1[Pd]1([n]4cccc5ccc6ccc[n]1c6c45)n1c(cc(C(F)(F)F)[n]1[Pd]21[n]4cccc5ccc6ccc[n]1c6c45)c1ccc2c(c1)c1c(n2C)ccc(c1)c1cc(C(F)(F)F)n2[n]1[Pd]1([n]4cccc5ccc6ccc[n]1c6c45)[n]1n(c(cc1C(F)(F)F)c1ccc4c(c1)c1c(n4C)ccc(c1)c1cc(C(F)(F)F)[n]4n1[Pd]1([n]5cccc6ccc7ccc[n]1c7c56)n1c(c5ccc6c(c7c(ccc3c7)n6C)c5)cc(C(F)(F)F)[n]1[Pd]41[n]3cccc4ccc5ccc[n]1c5c34)[Pd]12[n]2cccc3ccc4ccc[n]1c4c23.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-] |
| Title of publication | Self-Assembly of [M8L4] and [M4L2] Fluorescent Metallomacrocycles with Carbazole-Based Dipyrazole Ligands |
| Authors of publication | Lin Qin; Liao-Yuan Yao; Shu-Yan Yu |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Pages of publication | 2443 - 2453 |
| a | 18.2309 ± 0.0019 Å |
| b | 18.4937 ± 0.0012 Å |
| c | 21.379 ± 0.002 Å |
| α | 72.034 ± 0.002° |
| β | 83.197 ± 0.002° |
| γ | 67.743 ± 0.003° |
| Cell volume | 6345.7 ± 1 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0794 |
| Residual factor for significantly intense reflections | 0.0547 |
| Weighted residual factors for significantly intense reflections | 0.1142 |
| Weighted residual factors for all reflections included in the refinement | 0.1177 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179387 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/84. |
4328401.cif |
| 77367 | 2013-03-26 | cif/ Adding structures of 4328401 via cif-deposit CGI script. |
4328401.cif |
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Users of the data should acknowledge the original authors of the
structural data.