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Information card for entry 7027047
Preview
Coordinates | 7027047.cif |
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Original paper (by DOI) | HTML |
Formula | C41 H66 F9 N11 Ni2 O13 S3 |
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Calculated formula | C41 H66 F9 N11 Ni2 O13 S3 |
Title of publication | Constrained ferromagnetic coupling in dinuclear μ1,3-azido nickel(II) cryptate compounds. Crystal structure and magnetic behaviour of [Ni2(L1)(N3)(H2O)][CF3SO3]3·2H2O·EtOH {L1 = N[(CH2)2NHCH2(C6H4-m)CH2NH(CH2)2]3N} † |
Authors of publication | Escuer, Albert; Harding, Charles J.; Dussart, Yann; Nelson, Jane; McKee, Vickie; Vicente, Ramon |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 2 |
Pages of publication | 223 |
a | 17.5006 ± 0.0003 Å |
b | 21.0205 ± 0.0004 Å |
c | 16.4021 ± 0.0003 Å |
α | 90° |
β | 115.341 ± 0.001° |
γ | 90° |
Cell volume | 5453.26 ± 0.18 Å3 |
Cell temperature | 161 ± 2 K |
Ambient diffraction temperature | 161 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.108 |
Residual factor for significantly intense reflections | 0.0753 |
Weighted residual factors for significantly intense reflections | 0.155 |
Weighted residual factors for all reflections included in the refinement | 0.1774 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.157 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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