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Information card for entry 7022387
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Coordinates | 7022387.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H26 Cu N12 S2 |
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Calculated formula | C22 H26 Cu N12 S2 |
Title of publication | 2-tert-Butyl-5-(2-pyridyl)-2H-tetrazole as a chelating ligand in the direct synthesis of novel Cu(II) and heterobimetallic Cu(II)/Mn(II) complexes. |
Authors of publication | Mosalkova, Anastasiya P.; Voitekhovich, Sergei V.; Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Lach, Jochen; Kersting, Berthold; Gaponik, Pavel N.; Ivashkevich, Oleg A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 8 |
Pages of publication | 2985 - 2997 |
a | 10.2627 ± 0.0004 Å |
b | 9.3012 ± 0.0004 Å |
c | 15.2346 ± 0.0008 Å |
α | 90° |
β | 109.877 ± 0.001° |
γ | 90° |
Cell volume | 1367.59 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0246 |
Residual factor for significantly intense reflections | 0.023 |
Weighted residual factors for significantly intense reflections | 0.0655 |
Weighted residual factors for all reflections included in the refinement | 0.0667 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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