Crystallography Open Database





Information card for 7015699

7015698 << 7015699 >> 7015700

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Coordinates

7015699.cif

Structure parameters

Formula - C36 H54 Co2 N16 O6 S4 -
Calculated formula - C35.98 H53.94 Co2 N16 O6 S4 -
Title of publication Synthesis, structure and magnetism of homodinuclear complexes of Co, Ni and Cu supported by a novel bitriazine scaffold.
Authors of publication Reid, Derek J.; Cull, John E. W.; Chisholm, Kimberley D. S.; Langlois, Alexandre; Lin, Po-Heng; Long, Jérôme; Lebel, Olivier; Korobkov, Ilia; Wang, Ruiyao; Wuest, James D.; Murugesu, Muralee; Scott, Jennifer
Journal of publication Dalton transactions (Cambridge, England : 2003)
Year of publication 2011
Journal volume 40
Journal issue 18
Pages of publication 5009 - 5017
a 9.8096 ± 0.0018 Å
b 17.481 ± 0.003 Å
c 14.825 ± 0.003 Å
α 90°
β 96.962 ± 0.003°
γ 90°
Cell volume 2523.5 ± 0.8 Å3
Cell temperature 223 ± 2 K
Ambient diffraction temperature 223 ± 2 K
Number of distinct elements 6
Hermann-Mauguin symmetry space group P 1 21/c 1
Hall symmetry space group -P 2ybc
Residual factor for all reflections 0.1323
Residual factor for observed reflections 0.059
Weighted residual factors for the observed reflections 0.1353
Weighted residual factors for all reflections included in the refinement 0.1707
Goodness-of-fit parameter for observed reflections 0.987
Diffraction radiation wavelength 0.71073 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder Yes
Has Fobs No

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