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Information card for entry 4071717
Preview
| Coordinates | 4071717.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H29 Ni3 |
|---|---|
| Calculated formula | C30 H29 Ni3 |
| SMILES | [Ni]12345([c]6([cH]1[cH]2[cH]3[cH]46)C)[C]1([Ni]2346[c]7([cH]2[cH]3[cH]4[cH]67)C)C(=CC=C[C]5=1[Ni]1234[c]5([cH]1[cH]2[cH]3[cH]45)C)c1ccccc1 |
| Title of publication | Products of the Reaction of 9-Nickelafluorenyllithium Complexes with Water |
| Authors of publication | Buchalski, Piotr; Jadach, Patryk; Pietrzykowski, Antoni; Suwińska, Kinga; Jerzykiewicz, Lucjan; Sadło, Jarosław |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 14 |
| Pages of publication | 3618 |
| a | 12.505 ± 0.006 Å |
| b | 9.792 ± 0.005 Å |
| c | 19.219 ± 0.008 Å |
| α | 90° |
| β | 94.32 ± 0.05° |
| γ | 90° |
| Cell volume | 2346.7 ± 1.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0362 |
| Residual factor for significantly intense reflections | 0.0264 |
| Weighted residual factors for significantly intense reflections | 0.0605 |
| Weighted residual factors for all reflections included in the refinement | 0.063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178606 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/17. |
4071717.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071717.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071717.cif |
| 43994 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071716, 4071717, 4071718 via cif-deposit CGI script. |
4071717.cif |
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Users of the data should acknowledge the original authors of the
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