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Information card for entry 7040903
Preview
Coordinates | 7040903.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (PNNNP)CoBr2 |
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Formula | C23 H47 Br2 Co N3 O P2 |
Calculated formula | C22 H44 Br2 Co N3 O0.5 P2 |
SMILES | Br[Co]12[P](Nc3[n]2c(N[P]1(C(C)(C)C)C(C)(C)C)ccc3)(C(C)(C)C)C(C)(C)C.[Br-].OCC |
Title of publication | Spin-state diversity in a series of Co(ii) PNP pincer bromide complexes. |
Authors of publication | Shaffer, David W.; Bhowmick, Indrani; Rheingold, Arnold L.; Tsay, Charlene; Livesay, Brooke N.; Shores, Matthew P.; Yang, Jenny Y. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 44 |
Pages of publication | 17910 - 17917 |
a | 22.5471 ± 0.0016 Å |
b | 7.79 ± 0.0006 Å |
c | 34.827 ± 0.002 Å |
α | 90° |
β | 102.912 ± 0.004° |
γ | 90° |
Cell volume | 5962.4 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.041 |
Residual factor for significantly intense reflections | 0.0303 |
Weighted residual factors for significantly intense reflections | 0.0684 |
Weighted residual factors for all reflections included in the refinement | 0.0718 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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