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Information card for entry 7054093
Preview
Coordinates | 7054093.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C82.27 H63.1 Cl4 N14.42 Ni2 O20.5 |
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Calculated formula | C82.269 H56.961 Cl4 N14.423 Ni2 O20.5 |
Title of publication | Transition metal complexes of a super rigid anthyridine ligand: structural, magnetic and DFT studies |
Authors of publication | Wang, Wen-Zhen; Hsieh, Chang-Lin; Ismayilov, Rayyat H.; Hsu, Chia-Hung; Liu, Isiah Po-Chun; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming |
Journal of publication | New Journal of Chemistry |
Year of publication | 2012 |
Journal volume | 36 |
Journal issue | 11 |
Pages of publication | 2340 |
a | 13.4297 ± 0.0002 Å |
b | 35.6133 ± 0.0005 Å |
c | 19.3597 ± 0.0003 Å |
α | 90° |
β | 99.9636 ± 0.0007° |
γ | 90° |
Cell volume | 9119.6 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1688 |
Residual factor for significantly intense reflections | 0.1084 |
Weighted residual factors for significantly intense reflections | 0.2906 |
Weighted residual factors for all reflections included in the refinement | 0.3155 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.248 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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