Crystallography Open Database





Information card for 7015700

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Coordinates

7015700.cif

Structure parameters

Formula - C28 H46 N16 Ni2 O18 -
Calculated formula - C28 H46 N16 Ni2 O18 -
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 9.1073 ± 0.0001 Å
b 9.4828 ± 0.0001 Å
c 13.0297 ± 0.0002 Å
α 106.27 ± 0.001°
β 92.707 ± 0.001°
γ 93.283 ± 0.001°
Cell volume 1076.09 ± 0.02 Å3
Cell temperature 223 ± 2 K
Ambient diffraction temperature 223 ± 2 K
Number of distinct elements 5
Hermann-Mauguin symmetry space group P -1
Hall symmetry space group -P 1
Residual factor for all reflections 0.032
Residual factor for observed reflections 0.0278
Weighted residual factors for the observed reflections 0.0707
Weighted residual factors for all reflections included in the refinement 0.0734
Goodness-of-fit parameter for observed reflections 1.038
Diffraction radiation wavelength 0.71073 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder No
Has Fobs No

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