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Information card for entry 7015377
Preview
Coordinates | 7015377.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C53 H53 Cl Mn2 N8 O17 S2 |
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Calculated formula | C53 H53 Cl Mn2 N8 O17 S2 |
SMILES | [Mn]12345[O]=C(c6ccc(OC)c(OC)c6)O[Mn]678([O]1c1c(S(=O)(=O)[N]4(Cc4[n]5cccc4)Cc4[n]3cccc4)cc(cc1S(=O)(=O)[N]7(Cc1[n]8cccc1)Cc1[n]6cccc1)C)[O]=C(O2)c1ccc(OC)c(OC)c1.Cl(=O)(=O)(=O)[O-].N#CC.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 | 16.1552 ± 0.0006 Å |
b | 18.7603 ± 0.0007 Å |
c | 18.8822 ± 0.0007 Å |
α | 90° |
β | 104.151 ± 0.002° |
γ | 90° |
Cell volume | 5549.1 ± 0.4 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 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 | 0.1221 |
Residual factor for significantly intense reflections | 0.0571 |
Weighted residual factors for significantly intense reflections | 0.1262 |
Weighted residual factors for all reflections included in the refinement | 0.15 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
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/7015377.html
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