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Information card for entry 7246623
Preview
Coordinates | 7246623.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H32 F12 Fe N10 O12 S4 |
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Calculated formula | C44 H32 F12 Fe N10 O12 S4 |
Title of publication | Observation of proton-transfer-coupled spin transition by single-crystal neutron-diffraction measurement. |
Authors of publication | Nakanishi, Takumi; Hori, Yuta; Shigeta, Yasuteru; Sato, Hiroyasu; Wu, Shu-Qi; Kiyanagi, Ryoji; Munakata, Koji; Ohhara, Takashi; Sato, Osamu |
Journal of publication | Physical chemistry chemical physics : PCCP |
Year of publication | 2023 |
Journal volume | 25 |
Journal issue | 17 |
Pages of publication | 12394 - 12400 |
a | 17.9201 ± 0.001 Å |
b | 18.1588 ± 0.0007 Å |
c | 18.7085 ± 0.0011 Å |
α | 90° |
β | 119.419 ± 0.008° |
γ | 90° |
Cell volume | 5302.9 ± 0.6 Å3 |
Cell temperature | 363.15 K |
Ambient diffraction temperature | 363.15 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 | 0.1802 |
Residual factor for significantly intense reflections | 0.1527 |
Weighted residual factors for significantly intense reflections | 0.4202 |
Weighted residual factors for all reflections included in the refinement | 0.4444 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.791 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7246623.html
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Users of the data should acknowledge the original authors of the
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