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Information card for entry 4109046
Preview
| Coordinates | 4109046.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Cesium hexakis(2,6-dimethylphenylisocyanido)-niobium |
|---|---|
| Formula | C54 H54 Cs N6 Nb |
| Calculated formula | C54 H54 Cs N6 Nb |
| SMILES | C(#[N]c1c(C)cccc1C)[Nb](C#[N]c1c(C)cccc1C)(C#[N]c1c(C)cccc1C)(C#[N]c1c(C)cccc1C)(C#[N]c1c(C)cccc1C)C#[N]c1c(C)cccc1C.[Cs+] |
| Title of publication | Homoleptic Isocyanidemetalates of 4d- and 5d-Transition Metals: [Nb(CNXyl)6]-, [Ta(CNXyl)6]-, and Derivatives Thereof1 |
| Authors of publication | Mikhail V. Barybin; William W. Brennessel; Benjamin E. Kucera; Mikhail E. Minyaev; Victor J. Sussman; Victor G. Young; John E. Ellis |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 1141 - 1150 |
| a | 23.504 ± 0.003 Å |
| b | 23.504 ± 0.003 Å |
| c | 7.7038 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3685.7 ± 0.9 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0524 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0776 |
| Weighted residual factors for all reflections included in the refinement | 0.0847 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178836 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/90. |
4109046.cif |
| 171653 | 2015-12-20 | cod/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries in ranges 1, 2, 4. |
4109046.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109046.cif |
| 57797 | 2012-05-21 | cif/ Adding structures of 4109046 via cif-deposit CGI script. |
4109046.cif |
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