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Information card for entry 4313289
Preview
Coordinates | 4313289.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H56 Cl2 F3 Fe N6 O7 S |
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Calculated formula | C58 H58 Cl2 F3 Fe N6 O7 S1.2 |
Title of publication | Electronic Structure of Iron Chlorins: Characterization of Bis(l-valine methyl ester)(meso-tetraphenylchlorin)iron(III)triflate and Bis(l-valine methyl ester)(meso-tetraphenylchlorin)iron(II) |
Authors of publication | Gérard Simonneaux; Marwan Kobeissi; Loîc Toupet |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 1644 - 1651 |
a | 11.076 ± 0.0004 Å |
b | 11.388 ± 0.0004 Å |
c | 12.713 ± 0.0007 Å |
α | 105.19 ± 0.002° |
β | 96.51 ± 0.002° |
γ | 113.19 ± 0.002° |
Cell volume | 1379.44 ± 0.11 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 8 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0719 |
Residual factor for significantly intense reflections | 0.0534 |
Weighted residual factors for significantly intense reflections | 0.1346 |
Weighted residual factors for all reflections included in the refinement | 0.1487 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71069 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/4313289.html
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