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Information card for entry 7028444
Preview
Coordinates | 7028444.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H48 Cl4 N6 Ni |
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Calculated formula | C22 H48 Cl4 N6 Ni |
SMILES | C(=C(NC(C)C)NC(C)C)(C(=[NH+]C(C)C)NC(C)C)C(=[NH+]C(C)C)NC(C)C.[Cl-][Ni](Cl)(Cl)[Cl-] |
Title of publication | Methanetrisamidines in coordination chemistry - syntheses, structures and CH-NH tautomerism. |
Authors of publication | Gutschank, Benjamin; Schulz, Stephan; Bläser, Dieter; Wölper, Christoph |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 7 |
Pages of publication | 2907 - 2914 |
a | 18.5823 ± 0.0018 Å |
b | 18.5823 ± 0.0018 Å |
c | 18.5823 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6416.5 ± 1.1 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 ± 1 K |
Number of distinct elements | 5 |
Space group number | 205 |
Hermann-Mauguin space group symbol | P a -3 |
Hall space group symbol | -P 2ac 2ab 3 |
Residual factor for all reflections | 0.0534 |
Residual factor for significantly intense reflections | 0.0296 |
Weighted residual factors for significantly intense reflections | 0.0665 |
Weighted residual factors for all reflections included in the refinement | 0.0813 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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