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Information card for entry 4317563
Preview
| Coordinates | 4317563.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H38 B2 F8 Fe N2 |
|---|---|
| Calculated formula | C24 H38 B2 F8 Fe N2 |
| SMILES | [cH]12[c]3([cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]7[cH]8[cH]1[cH]62)CC[NH+]1CCCCC1)CC[NH+]1CCCCC1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-] |
| Title of publication | Synthesis and Structural Studies of 1,1'-Bis-Amino-Functionalized Ferrocenes, Ferrocene Salts, and Ferrocenium Salts |
| Authors of publication | Sam Bradley; Kenneth D. Camm; Xiaoming Liu; Patrick C. McGowan; Raheela Mumtaz; Karrie A. Oughton; Thomas J. Podesta; Mark Thornton-Pett |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 715 - 726 |
| a | 13.4954 ± 0.0002 Å |
| b | 6.1644 ± 0.0001 Å |
| c | 31.6684 ± 0.0006 Å |
| α | 90° |
| β | 94.478 ± 0.0006° |
| γ | 90° |
| Cell volume | 2626.49 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.078 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.1103 |
| Weighted residual factors for all reflections included in the refinement | 0.124 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179255 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/75. |
4317563.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4317563.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4317563.cif |
| 13838 | 2011-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4317563 via cif-deposit CGI script. |
4317563.cif |
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