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Information card for entry 7040019
Preview
Coordinates | 7040019.cif |
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Original paper (by DOI) | HTML |
Formula | C74 H50 Fe N7 P2 |
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Calculated formula | C74 H50 Fe N7 P2 |
SMILES | c12=Cc3c4ccccc4c4C=c5c6c(c7C=c8c9ccccc9c9=Cc(c%10c1cccc%10)[n]2[Fe](C#N)(C#N)([n]57)(n89)n34)cccc6.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | A giant negative magnetoresistance effect in an iron tetrabenzoporphyrin complex. |
Authors of publication | Nishi, Miki; Ikeda, Mitsuo; Kanda, Akinori; Hanasaki, Noriaki; Hoshino, Norihisa; Akutagawa, Tomoyuki; Matsuda, Masaki |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 42 |
Pages of publication | 16604 - 16609 |
a | 10.5787 ± 0.0008 Å |
b | 12.4102 ± 0.001 Å |
c | 12.9849 ± 0.0009 Å |
α | 85.847 ± 0.006° |
β | 68.108 ± 0.005° |
γ | 65.248 ± 0.005° |
Cell volume | 1429.4 ± 0.2 Å3 |
Cell temperature | 296 K |
Ambient diffraction temperature | 296 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0582 |
Residual factor for significantly intense reflections | 0.0506 |
Weighted residual factors for significantly intense reflections | 0.1468 |
Weighted residual factors for all reflections included in the refinement | 0.1519 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.226 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7040019.html
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