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Information card for entry 1564450
Preview
Coordinates | 1564450.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H56 Cl2 Mn2 N14 O10 |
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Calculated formula | C48 H56 Cl2 Mn2 N14 O10 |
SMILES | C1C[N]2(Cc3[n](c4ccccc4nc3)[Mn]342([N]1(Cc1cnc2ccccc2[n]31)C)[OH][Mn]123([N](CC[N]1(Cc1[n]3c3ccccc3nc1)C)(Cc1cnc3ccccc3[n]21)C)[OH]4)C.N#CC.[O-]Cl(=O)(=O)=O.N#CC.[O-]Cl(=O)(=O)=O |
Title of publication | Conversion of (µ-OH)2Mn2(II,II) complex to (µ-O)2Mn2(III,III) core supported by a quinoxaline-based tetranitrogen ligand |
Authors of publication | Mikata, Yuji; Murakami, Kana; Ochi, Ayaka; Nakagaki, Fumie; Naito, Kyoko; Matsumoto, Arimasa; Mitsuhashi, Ryoji; Mikuriya, Masahiro |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2020 |
Journal volume | 509 |
Pages of publication | 119688 |
a | 18.612 ± 0.005 Å |
b | 14.332 ± 0.004 Å |
c | 19.499 ± 0.005 Å |
α | 90° |
β | 90.04 ± 0.003° |
γ | 90° |
Cell volume | 5201 ± 2 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0699 |
Residual factor for significantly intense reflections | 0.0549 |
Weighted residual factors for significantly intense reflections | 0.1277 |
Weighted residual factors for all reflections included in the refinement | 0.1408 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.126 |
Diffraction radiation wavelength | 0.7107 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/1564450.html
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