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Information card for entry 7707195
Preview
| Coordinates | 7707195.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (mu2-carbonatato)-bis(acetonitrile)-bis[1-methyl-4-(2-pyridin-2-ylethyl)-1,4-diazepane-N,N',N"]-di-nickel(II) bis(tetraphenylborate) acetonitrile solvate (1:2) |
|---|---|
| Chemical name | (mu2-carbonatato)-bis(acetonitrile)-bis[1-methyl-4-(2-pyridin-2-ylethyl)-1,4-diazepane-N,N',N"]-di-nickel(II) bis(tetraphenylborate) acetonitrile solvate (1:2) |
| Formula | C83 H94 B2 N10 Ni2 O3 |
| Calculated formula | C83 H94 B2 N10 Ni2 O3 |
| SMILES | [N]12(C)CC[N]3(CCC1)[Ni]12([N]#CC)([O]2[Ni]45([N]#CC)([N]6(CCC[N]4(C)CC6)CCc4[n]5cccc4)[O]=C2O1)[n]1c(cccc1)CC3.C(#N)C.c1([B-](c2ccccc2)(c2ccccc2)c2ccccc2)ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.N#CC |
| Title of publication | Fixation of atmospheric CO<sub>2</sub> as C1-feedstock by nickel(ii) complexes. |
| Authors of publication | Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 23 |
| Pages of publication | 7984 - 7994 |
| a | 31.3574 ± 0.0016 Å |
| b | 11.0783 ± 0.0005 Å |
| c | 21.4842 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7463.3 ± 0.6 Å3 |
| Cell temperature | 291.19 ± 0.18 K |
| Ambient diffraction temperature | 291.19 ± 0.18 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0572 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.062 |
| Weighted residual factors for all reflections included in the refinement | 0.0708 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267185 (current) | 2021-07-05 | cif/ Updating files of 7707193, 7707194, 7707195, 7707196 Original log message: Adding full bibliography for 7707193--7707196.cif. |
7707195.cif |
| 264567 | 2021-04-27 | cif/ Adding structures of 7707193, 7707194, 7707195, 7707196 via cif-deposit CGI script. |
7707195.cif |
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structural data.