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Information card for entry 7002287
Preview
Coordinates | 7002287.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H34 Mn N4 O14 |
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Calculated formula | C18 H34 Mn N4 O14 |
SMILES | C1(=O)O[Mn]2(OC(=O)CC(=O)O2)(OC(=O)C1)([OH2])[OH2].Cc1cc(N)[nH+]cc1.O.Cc1cc(N)[nH+]cc1.O.O.O |
Title of publication | Robust recognition of malonate and 2-amino-4-picolinium in conjunction with M(ii) as a triad (M = Ni/Co/Mn): role of this highly stable hydrogen-bonded motif in driving supramolecular self-assembly |
Authors of publication | Choudhury, Somnath Ray; Dey, Biswajit; Das, Suranjana; Robertazzi, Arturo; Jana, Atish Dipankar; Chen, Chih-Yuan; Lee, Hon Man; Gamez, Patrick; Mukhopadhyay, Subrata |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 37 |
Pages of publication | 7617 - 7624 |
a | 7.669 ± 0.0006 Å |
b | 9.1074 ± 0.0007 Å |
c | 10.338 ± 0.0008 Å |
α | 92.776 ± 0.001° |
β | 92.558 ± 0.001° |
γ | 111.734 ± 0.001° |
Cell volume | 668.41 ± 0.09 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0307 |
Residual factor for significantly intense reflections | 0.0278 |
Weighted residual factors for significantly intense reflections | 0.0796 |
Weighted residual factors for all reflections included in the refinement | 0.0804 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.643 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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