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Information card for entry 7042135
Preview
| Coordinates | 7042135.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24.5 H27 Bi N2 O5 W |
|---|---|
| Calculated formula | C24.5 H27 Bi N2 O5 W |
| SMILES | [Bi]12([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])[N](C(C)(C)C)=Cc3c2c(ccc3)C=[N]1C(C)(C)C.c1cccc(c1)C |
| Title of publication | A comparative study of the structure and bonding in heavier pnictinidene complexes [(ArE)M(CO)n] (E = As, Sb and Bi; M = Cr, Mo, W and Fe). |
| Authors of publication | Vránová, Iva; Kremláček, Vít; Erben, Milan; Turek, Jan; Jambor, Roman; Růžička, Aleš; Alonso, Mercedes; Dostál, Libor |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2017 |
| Journal volume | 46 |
| Journal issue | 11 |
| Pages of publication | 3556 - 3568 |
| a | 19.4793 ± 0.0016 Å |
| b | 19.4789 ± 0.0013 Å |
| c | 13.5431 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5138.7 ± 0.8 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0524 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.1081 |
| Weighted residual factors for all reflections included in the refinement | 0.1176 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202518 (current) | 2017-11-02 | cif/7 Fixing some Z values and formulae |
7042135.cif |
| 195100 | 2017-04-05 | cif/ Updating files of 7042129, 7042130, 7042131, 7042132, 7042133, 7042134, 7042135, 7042136, 7042137, 7042138 Original log message: Adding full bibliography for 7042129--7042138.cif. |
7042135.cif |
| 192402 | 2017-02-21 | cif/ Adding structures of 7042129, 7042130, 7042131, 7042132, 7042133, 7042134, 7042135, 7042136, 7042137, 7042138 via cif-deposit CGI script. |
7042135.cif |
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