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Information card for entry 4349575
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Coordinates | 4349575.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 8-2 |
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Chemical name | 8-2 |
Formula | C35 H31 B Fe0.5 N3 O2 |
Calculated formula | C35 H31 B Fe0.5 N3 O2 |
Title of publication | Spin transitions in a series of [Fe(pybox)2]2+ complexes modulated by ligand structures, counter anions, and solvents |
Authors of publication | Zhu, Yuan-Yuan; Li, Hong-Qing; Ding, Zhong-Yu; Lü, Xiao-Jin; Zhao, Liang; Meng, Yin-Shan; Liu, Tao; Gao, Song |
Journal of publication | Inorganic Chemistry Frontiers |
Year of publication | 2016 |
Journal volume | 3 |
Journal issue | 12 |
Pages of publication | 1624 |
a | 17.51122 ± 0.00011 Å |
b | 17.51122 ± 0.00011 Å |
c | 37.5872 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 11525.8 ± 0.16 Å3 |
Cell temperature | 180.01 ± 0.1 K |
Ambient diffraction temperature | 180.01 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 88 |
Hermann-Mauguin space group symbol | I 41/a :2 |
Hall space group symbol | -I 4ad |
Residual factor for all reflections | 0.1447 |
Residual factor for significantly intense reflections | 0.1407 |
Weighted residual factors for significantly intense reflections | 0.3442 |
Weighted residual factors for all reflections included in the refinement | 0.3458 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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