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Information card for entry 4071635
Preview
| Coordinates | 4071635.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H26 Ni3 |
|---|---|
| Calculated formula | C34 H26 Ni3 |
| SMILES | [Ni]123456([Ni]789%10%11%12%13([Ni]%14%15%16%17%18([C]%198=[C]7([C]79=[C]%10%14C=CC=C7)C=CC=C%19)[cH]7[cH]%15[cH]%16[cH]%17[cH]%187)[C]7([C]8%12=[C]2%13C=CC=C8)C=CC=C[C]1%11=7)[cH]1[cH]3[cH]4[cH]5[cH]61 |
| Title of publication | Novel 9-Nickelafluorenyl Sandwich Complexes of Nickel(II) and Cobalt(II) |
| Authors of publication | Buchalski, Piotr; Grabowska, Ilona; Karaskiewicz, Anna; Suwińska, Kinga; Jerzykiewicz, Lucjan |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 13 |
| Pages of publication | 3316 |
| a | 18.3002 ± 0.0003 Å |
| b | 9.116 ± 0.0003 Å |
| c | 14.8054 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2469.91 ± 0.14 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0387 |
| Residual factor for significantly intense reflections | 0.0313 |
| Weighted residual factors for significantly intense reflections | 0.0654 |
| Weighted residual factors for all reflections included in the refinement | 0.0679 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178605 (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 4/07/16. |
4071635.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071635.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071635.cif |
| 43957 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071635, 4071636 via cif-deposit CGI script. |
4071635.cif |
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Users of the data should acknowledge the original authors of the
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