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Information card for entry 7039992
Preview
| Coordinates | 7039992.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H84 Co2 N2 |
|---|---|
| Calculated formula | C72 H84 Co2 N2 |
| SMILES | C1([Co]23456([cH]7[cH]2[cH]3[cH]5[cH]47)C([Co]234516[cH]1[cH]5[cH]4[cH]3[cH]21)=Nc1c(cccc1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C)=Nc1c(cccc1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C |
| Title of publication | Dinitrogen binding, P4-activation and aza-Büchner ring expansions mediated by an isocyano analogue of the CpCo(CO) fragment. |
| Authors of publication | Mokhtarzadeh, Charles C.; Rheingold, Arnold L.; Figueroa, Joshua S. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 37 |
| Pages of publication | 14561 - 14569 |
| a | 29.1006 ± 0.0017 Å |
| b | 10.453 ± 0.0007 Å |
| c | 21.8596 ± 0.0013 Å |
| α | 90° |
| β | 102.775 ± 0.004° |
| γ | 90° |
| Cell volume | 6484.8 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1131 |
| Residual factor for significantly intense reflections | 0.0776 |
| Weighted residual factors for significantly intense reflections | 0.1991 |
| Weighted residual factors for all reflections included in the refinement | 0.218 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187138 (current) | 2016-10-08 | cif/ Updating files of 7039988, 7039989, 7039990, 7039991, 7039992, 7039993, 7039994, 7039995, 7039996, 7039997 Original log message: Adding full bibliography for 7039988--7039997.cif. |
7039992.cif |
| 184596 | 2016-07-22 | cif/ Adding structures of 7039988, 7039989, 7039990, 7039991, 7039992, 7039993, 7039994, 7039995, 7039996, 7039997 via cif-deposit CGI script. |
7039992.cif |
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