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Information card for entry 4349577
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Coordinates | 4349577.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 1(BF4) |
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Chemical name | 1(BF4)-LP |
Formula | C60 H76 B4 F16 Fe2 N12 O8 |
Calculated formula | C60 H76 B4 F16 Fe2 N12 O8 |
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 | 13.693 ± 0.0005 Å |
b | 19.5154 ± 0.0007 Å |
c | 24.9934 ± 0.0011 Å |
α | 90° |
β | 92.184 ± 0.004° |
γ | 90° |
Cell volume | 6674 ± 0.5 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1298 |
Residual factor for significantly intense reflections | 0.1187 |
Weighted residual factors for significantly intense reflections | 0.3433 |
Weighted residual factors for all reflections included in the refinement | 0.3517 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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