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Information card for entry 4324862
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Coordinates | 4324862.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [CrCyclam(C2MeEDT)2]OTf |
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Formula | C33 H38 Cr F3 N4 O3 S13 |
Calculated formula | C33 H38 Cr F3 N4 O3 S13 |
SMILES | [Cr]123([NH]4CC[NH]1CCC[NH]2CC[NH]3CCC4)(C#CC1=C(SC(=C2SC3=C(S2)SCCS3)S1)C)C#CC1=C(SC(=C2SC3=C(S2)SCCS3)S1)C.S(=O)(=O)(C(F)(F)F)[O-] |
Title of publication | Weak Ferromagnetism and Strong Spin-Spin Interaction Mediated by the Mixed-Valence Ethynyltetrathiafulvalene-Type Ligand |
Authors of publication | Junichi Nishijo; Ken Judai; Nobuyuki Nishi |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 3464 - 3470 |
a | 16.8733 ± 0.0018 Å |
b | 11.4891 ± 0.0013 Å |
c | 22.71 ± 0.003 Å |
α | 90° |
β | 93.959 ± 0.003° |
γ | 90° |
Cell volume | 4392 ± 0.9 Å3 |
Cell temperature | 100 ± 0.5 K |
Ambient diffraction temperature | 100 ± 0.5 K |
Number of distinct elements | 7 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 c 1 |
Hall space group symbol | P -2yc |
Residual factor for all reflections | 0.1561 |
Residual factor for significantly intense reflections | 0.1471 |
Weighted residual factors for significantly intense reflections | 0.3903 |
Weighted residual factors for all reflections included in the refinement | 0.3965 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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