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Information card for entry 7021917
Preview
Coordinates | 7021917.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H38 Cu N4 |
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Calculated formula | C54 H38 Cu N4 |
SMILES | [Cu]12(n3c(ccc3C(=c3ccc([n]13)c1ccccc1)c1ccccc1)c1ccccc1)n1c(ccc1C(=c1ccc([n]21)c1ccccc1)c1ccccc1)c1ccccc1 |
Title of publication | Peculiar properties of homoleptic Cu complexes with dipyrromethene derivatives. |
Authors of publication | Servaty, Kathleen; Cauët, Emilie; Thomas, Fabrice; Lambermont, Javiera; Gerbaux, Pascal; De Winter, Julien; Ovaere, Margriet; Volker, Leen; Vaeck, Nathalie; Van Meervelt, Luc; Dehaen, Wim; Moucheron, Cécile; Kirsch-De Mesmaeker, Andrée |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 39 |
Pages of publication | 14188 - 14199 |
a | 18.9299 ± 0.0005 Å |
b | 10.5052 ± 0.0003 Å |
c | 21.7918 ± 0.0006 Å |
α | 90° |
β | 113.925 ± 0.002° |
γ | 90° |
Cell volume | 3961.2 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0361 |
Residual factor for significantly intense reflections | 0.0335 |
Weighted residual factors for significantly intense reflections | 0.0878 |
Weighted residual factors for all reflections included in the refinement | 0.0901 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7021917.html
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