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Information card for entry 4303492
Preview
Coordinates | 4303492.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H35 Mn3 N9 O28.54 S4 |
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Calculated formula | C45 H35 Mn3 N9 O28.54 S4 |
Title of publication | Trinuclear Terpyridine Frustrated Spin System with a MnIV3O4 Core: Synthesis, Physical Characterization, and Quantum Chemical Modeling of Its Magnetic Properties |
Authors of publication | Carole Baffert; Maylis Orio; Dimitrios A. Pantazis; Carole Duboc; Allan G. Blackman; Geneviève Blondin; Frank Neese; Alain Deronzier; Marie-Noëlle Collomb |
Journal of publication | Inorganic Chemistry |
Year of publication | 2009 |
Journal volume | 48 |
Pages of publication | 10281 - 10288 |
a | 14.251 ± 0.005 Å |
b | 15.245 ± 0.005 Å |
c | 24.672 ± 0.005 Å |
α | 90° |
β | 92.045 ± 0.005° |
γ | 90° |
Cell volume | 5357 ± 3 Å3 |
Cell temperature | 85 ± 2 K |
Ambient diffraction temperature | 85 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1043 |
Residual factor for significantly intense reflections | 0.0852 |
Weighted residual factors for significantly intense reflections | 0.1901 |
Weighted residual factors for all reflections included in the refinement | 0.2053 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.157 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4303492.html
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