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Information card for entry 4319497
Preview
Coordinates | 4319497.cif |
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Original paper (by DOI) | HTML |
Common name | [Fe2(N-Et-OH-HPTB)(OH)(ONO2)2](NO3)(ClO4)*3CH3OH*1.5H2O |
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Chemical name | (mu-N,N,N',N'-tetrakis((N''-2-hydroxoethyl)-2-benzimidazolylmethyl)-2-hydroxy -1,3-diaminopropane)-(mu-hydroxo)-bis(nitrato-O)-di-iron(iii) nitrate perchlorate tris methanol solvent dihydrate |
Formula | C46 H65 Cl Fe2 N13 O23.5 |
Calculated formula | C46 H54 Cl Fe2 N13 O23.5 |
Title of publication | Syntheses and Structural Characterization of Dinuclear and Tetranuclear Iron(III) Complexes with Dinucleating Ligands and Their Reactions with Hydrogen Peroxide |
Authors of publication | Lars Westerheide; Felizitas K. Müller; Roberto Than; Bernt Krebs; Jens Dietrich; Siegfried Schindler |
Journal of publication | Inorganic Chemistry |
Year of publication | 2001 |
Journal volume | 40 |
Pages of publication | 1951 - 1961 |
a | 14.768 ± 0.003 Å |
b | 15.249 ± 0.003 Å |
c | 16.264 ± 0.003 Å |
α | 69.69 ± 0.03° |
β | 70.56 ± 0.03° |
γ | 70.26 ± 0.03° |
Cell volume | 3135.1 ± 1.3 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1025 |
Residual factor for significantly intense reflections | 0.0677 |
Weighted residual factors for significantly intense reflections | 0.1798 |
Weighted residual factors for all reflections included in the refinement | 0.2056 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
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/4319497.html
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structural data.