Information card for entry 2019976
Chemical name |
Di-μ-chlorido-bis({(prop-2-en-1-yl)bis[pyridin-2-yl)methylidene]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}copper(II)) bis(tetraphenylborate) |
Formula |
C78 H74 B2 Cl2 Cu2 N6 |
Calculated formula |
C78 H74 B2 Cl2 Cu2 N6 |
Title of publication |
Structural studies of (prop-2-en-1-yl)bis[(pyridin-2-yl)methylidene]amine hetero-scorpionate copper complexes |
Authors of publication |
Bussey, Katherine A.; Cavalier, Annie R.; Connell, Jennifer R.; Mraz, Margaret E.; Oshin, Kayode D.; Pintauer, Tomislav; Oliver, Allen G. |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2015 |
Journal volume |
71 |
Journal issue |
7 |
a |
10.3914 ± 0.0002 Å |
b |
12.2672 ± 0.0003 Å |
c |
26.0083 ± 0.0006 Å |
α |
90° |
β |
91.485 ± 0.001° |
γ |
90° |
Cell volume |
3314.25 ± 0.13 Å3 |
Cell temperature |
150 ± 2 K |
Ambient diffraction temperature |
150 ± 2 K |
Number of distinct elements |
6 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.0409 |
Residual factor for significantly intense reflections |
0.0319 |
Weighted residual factors for significantly intense reflections |
0.0836 |
Weighted residual factors for all reflections included in the refinement |
0.0894 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.028 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
Yes |
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https://www.crystallography.net/2019976.html