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Information card for entry 4089316
Preview
| Coordinates | 4089316.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | compound 1'Ni_hexane |
|---|---|
| Formula | C25 H33 B Br3 Co N6 Ni O4 |
| Calculated formula | C25 H33 B Br3 Co N6 Ni O4 |
| SMILES | Brc1c([n]2[Ni]3([Co](C#[O])(C#[O])(C#[O])C#[O])[n]4n(c(c(Br)c4C)C)[BH](n2c1C)n1[n]3c(c(Br)c1C)C)C.CCCCCC |
| Title of publication | Rational Synthesis and Reversible Metal−Metal Bond Scission of Heterobimetallic Xenophilic Complexes Containing an Unsupported, Polar Metal−Metal Bond, TpiPr2M−Co(CO)3L (M = Ni, Co, Fe, Mn; L = CO, PPh3) |
| Authors of publication | Uehara, Kazuhiro; Hikichi, Shiro; Akita, Munetaka |
| Journal of publication | Organometallics |
| Year of publication | 2001 |
| Journal volume | 20 |
| Journal issue | 24 |
| Pages of publication | 5002 |
| a | 21.8178 ± 0.0014 Å |
| b | 13.9755 ± 0.001 Å |
| c | 11.3967 ± 0.0008 Å |
| α | 90° |
| β | 104.545 ± 0.003° |
| γ | 90° |
| Cell volume | 3363.6 ± 0.4 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0859 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for significantly intense reflections | 0.1292 |
| Weighted residual factors for all reflections included in the refinement | 0.1436 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.781 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244974 (current) | 2019-12-11 | cif/4/08/93/ Corrected the values of the '_diffrn_radiation_type' and '_refine_ls_weighting_details' data items in entries 4089312-4089317 by replacing a sequence of malformed symbols with the backslash symbol ('\') after consulting the original publication. |
4089316.cif |
| 243608 | 2019-11-26 | cif/ Adding structures of 4089312, 4089313, 4089314, 4089315, 4089316, 4089317 via cif-deposit CGI script. |
4089316.cif |
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Users of the data should acknowledge the original authors of the
structural data.