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Information card for entry 7038224
Preview
Coordinates | 7038224.cif |
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Original paper (by DOI) | HTML |
Formula | C55 H41 Cl Co N4 |
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Calculated formula | C55 H40 Cl Co N4 |
Title of publication | Axial zero-field splitting in mononuclear Co(ii) 2-N substituted N-confused porphyrin: Co(2-NC3H5-21-Y-CH2C6H4CH3-NCTPP)Cl (Y = o, m, p) and Co(2-NC3H5-21-CH2C6H5-NCTPP)Cl. |
Authors of publication | Lai, Ya-Yuan; Chang, Yu-Chang; Chen, Jyh-Horung; Wang, Shin-Shin; Tung, Jo-Yu |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 11 |
Pages of publication | 4854 - 4862 |
a | 33.536 ± 0.0012 Å |
b | 13.7306 ± 0.0007 Å |
c | 25.4256 ± 0.001 Å |
α | 90° |
β | 109.587 ± 0.004° |
γ | 90° |
Cell volume | 11030.2 ± 0.9 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0816 |
Residual factor for significantly intense reflections | 0.0535 |
Weighted residual factors for significantly intense reflections | 0.1527 |
Weighted residual factors for all reflections included in the refinement | 0.1673 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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