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Information card for entry 4320062
Preview
Coordinates | 4320062.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H50 N3 O3 V |
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Calculated formula | C32 H50 N3 O3 V |
SMILES | [V]1234([NH](c5c(O1)c(cc(c5)C(C)(C)C)C(C)(C)C)CC[NH]2CCN4c1c(O3)c(cc(c1)C(C)(C)C)C(C)(C)C)=O |
Title of publication | Molecular and Electronic Structure of Octahedral o-Aminophenolato and o-Iminobenzosemiquinonato Complexes of V(V), Cr(III), Fe(III), and Co(III). Experimental Determination of Oxidation Levels of Ligands and Metal Ions |
Authors of publication | Hyungphil Chun; Claudio Nazari Verani; Phalguni Chaudhuri; Eberhard Bothe; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt |
Journal of publication | Inorganic Chemistry |
Year of publication | 2001 |
Journal volume | 40 |
Pages of publication | 4157 - 4166 |
a | 34.225 ± 0.005 Å |
b | 6.7592 ± 0.0008 Å |
c | 28.552 ± 0.003 Å |
α | 90° |
β | 105.33 ± 0.02° |
γ | 90° |
Cell volume | 6370 ± 1.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1081 |
Residual factor for significantly intense reflections | 0.0714 |
Weighted residual factors for all reflections | 0.1887 |
Weighted residual factors for significantly intense reflections | 0.1678 |
Goodness-of-fit parameter for all reflections | 1.045 |
Goodness-of-fit parameter for significantly intense reflections | 1.135 |
Diffraction radiation wavelength | 0.71073 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/4320062.html
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