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Information card for entry 1514541
Preview
| Coordinates | 1514541.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C146 H136 B2 F40 N10 Ni2 |
|---|---|
| Calculated formula | C146 H136 B2 F40 N10 Ni2 |
| SMILES | [Ni]1(=Nc2c(cc(cc2c2c(cccc2C(C)C)C(C)C)c2cc(c(N=[Ni]3=C4N(C(=C(N4CN4C=3N(C(=C4C)C)C(C)(C)C)C)C)C(C)(C)C)c(c2)c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)c2c(C(C)C)cccc2C(C)C)=C2N(C(=C(N2CN2C=1N(C(=C2C)C)C(C)(C)C)C)C)C(C)(C)C.Fc1c(c(F)c(F)c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.Fc1c(c(F)c(F)c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F |
| Title of publication | Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand |
| Authors of publication | Harrold, Nicole D.; Hillhouse, Gregory L. |
| Journal of publication | Chemical Science |
| Year of publication | 2013 |
| Journal volume | 4 |
| Journal issue | 10 |
| Pages of publication | 4011 |
| a | 14.779 ± 0.002 Å |
| b | 15.5 ± 0.002 Å |
| c | 16.733 ± 0.003 Å |
| α | 92.788 ± 0.004° |
| β | 98.247 ± 0.003° |
| γ | 100.522 ± 0.004° |
| Cell volume | 3718.6 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1879 |
| Residual factor for significantly intense reflections | 0.0879 |
| Weighted residual factors for significantly intense reflections | 0.2298 |
| Weighted residual factors for all reflections included in the refinement | 0.2498 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288253 (current) | 2023-12-12 | cif/ Corrected the misspelt variants of the '_diffrn_measurement_device_type' data name in entries 1514541, 4000975, 4001452, 4508206. Changed data name '_co_computing_molecular_graphics' to '_computing_molecular_graphics' in entry 4000975. |
1514541.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1514541.cif |
| 110177 | 2014-04-18 | cif/ Adding structures of 1514539, 1514540, 1514541, 1514542, 1514543 via cif-deposit CGI script. |
1514541.cif |
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Users of the data should acknowledge the original authors of the
structural data.