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Information card for entry 7049633
Preview
Coordinates | 7049633.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (S)-1-3MeCN-173K |
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Chemical name | S-1-3MeCN-173K |
Formula | C104 H94 Cl4 Fe2 N18 O24 |
Calculated formula | C104 H94 Cl4 Fe2 N18 O24 |
Title of publication | Spin crossover and structural phase transition in homochiral and heterochiral Fe[(pybox)<sub>2</sub>]<sup>2+</sup> complexes. |
Authors of publication | Gao, Wan-Qing; Meng, Yin-Shan; Liu, Chun-Hua; Pan, Yao; Liu, Tao; Zhu, Yuan-Yuan |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2019 |
Journal volume | 48 |
Journal issue | 19 |
Pages of publication | 6323 - 6327 |
a | 19.051 ± 0.004 Å |
b | 21.637 ± 0.004 Å |
c | 25.014 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 10311 ± 4 Å3 |
Cell temperature | 173 ± 0.2 K |
Ambient diffraction temperature | 173 ± 0.2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.066 |
Residual factor for significantly intense reflections | 0.0613 |
Weighted residual factors for significantly intense reflections | 0.1542 |
Weighted residual factors for all reflections included in the refinement | 0.158 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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