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Information card for entry 7700488
Preview
Coordinates | 7700488.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H29 Br2 Fe N4 O6 S |
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Calculated formula | C39 H29 Br2 Fe N4 O6 S |
Title of publication | Abrupt spin crossover in iron(iii) complexes with aromatic anions. |
Authors of publication | Lazaro, Sharon E.; Alkaş, Adil; Lee, Seok J.; Telfer, Shane G.; Murray, Keith S.; Phonsri, Wasinee; Harding, Phimphaka; Harding, David J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2019 |
Journal volume | 48 |
Journal issue | 41 |
Pages of publication | 15515 - 15520 |
a | 12.3433 ± 0.0008 Å |
b | 14.3546 ± 0.0008 Å |
c | 19.2425 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3409.4 ± 0.4 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 7 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.115 |
Residual factor for significantly intense reflections | 0.0859 |
Weighted residual factors for significantly intense reflections | 0.1901 |
Weighted residual factors for all reflections included in the refinement | 0.2225 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7700488.html
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