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Information card for entry 7040902
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Coordinates | 7040902.cif |
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Original paper (by DOI) | HTML |
Chemical name | (PCNCP)CoBr2 |
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Formula | C23.25 H43.5 Br2 Cl0.5 Co N P2 |
Calculated formula | C23.25 H43.5 Br2 Cl0.5 Co N P2 |
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 | 12.0654 ± 0.0003 Å |
b | 15.2061 ± 0.0005 Å |
c | 15.6909 ± 0.0005 Å |
α | 94.737 ± 0.001° |
β | 91.749 ± 0.001° |
γ | 99.864 ± 0.001° |
Cell volume | 2823.6 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0354 |
Residual factor for significantly intense reflections | 0.0296 |
Weighted residual factors for significantly intense reflections | 0.0721 |
Weighted residual factors for all reflections included in the refinement | 0.075 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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