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Information card for entry 4300002
Preview
Coordinates | 4300002.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H29 Cl F6 Mn N5 P |
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Calculated formula | C21 H29 Cl F6 Mn N5 P |
SMILES | [Mn]1234(Cl)[N]56CCC[N]1(C)CCC[N]2(Cc1[n]3c(ccc1)C5)Cc1[n]4c(C6)ccc1.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Synthesis and Properties of Iron(II) and Manganese(II) Complexes Derived from a Topologically Constrained Pentadentate Ligand |
Authors of publication | Simon Collinson; Nathaniel W. Alcock; Ahasuya Raghunathan; Pawan K. Kahol; Daryle H. Busch |
Journal of publication | Inorganic Chemistry |
Year of publication | 2000 |
Journal volume | 39 |
Pages of publication | 757 - 764 |
a | 7.745 ± 0.002 Å |
b | 22.786 ± 0.004 Å |
c | 14.639 ± 0.004 Å |
α | 90° |
β | 105.074 ± 0.01° |
γ | 90° |
Cell volume | 2494.6 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0844 |
Residual factor for significantly intense reflections | 0.0616 |
Weighted residual factors for all reflections | 0.1515 |
Weighted residual factors for significantly intense reflections | 0.1337 |
Goodness-of-fit parameter for all reflections | 1.072 |
Goodness-of-fit parameter for significantly intense reflections | 1.09 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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