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Information card for entry 7015383
Preview
Coordinates | 7015383.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H42 Cl F6 Mn2 N7 O9 |
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Calculated formula | C42 H42 Cl F6 Mn2 N7 O9 |
SMILES | [Mn]12345[O]=C(C(F)(F)F)O[Mn]678([O]1c1c(cc(cc1C[N]7(Cc1[n]8cccc1)Cc1[n]6cccc1)C(C)(C)C)C[N]4(Cc1[n]5cccc1)Cc1[n]3cccc1)[O]=C(O2)C(F)(F)F.Cl(=O)(=O)(=O)[O-].N#CC |
Title of publication | Tunability of the M(II)M(III)/M(II)(2) and M(III)(2)/M(II)M(III) (M=Mn, Co) couples in bis-μ-O,O'-carboxylato-μ-OR bridged complexes. |
Authors of publication | Seidler-Egdal, Rune Kirk; Johansson, Frank B.; Veltzé, Sune; Skou, Eivind M.; Bond, Andrew D.; McKenzie, Christine J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 13 |
Pages of publication | 3336 - 3345 |
a | 10.0416 ± 0.0013 Å |
b | 11.1647 ± 0.0015 Å |
c | 20.987 ± 0.003 Å |
α | 81.088 ± 0.006° |
β | 84.15 ± 0.005° |
γ | 77.758 ± 0.005° |
Cell volume | 2265.8 ± 0.5 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0369 |
Residual factor for significantly intense reflections | 0.0279 |
Weighted residual factors for significantly intense reflections | 0.0724 |
Weighted residual factors for all reflections included in the refinement | 0.0755 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7015383.html
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