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Information card for 1100749

1100748 << 1100749 >> 1100750

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Coordinates

1100749.cif

Structure parameters

Formula - C59.6 H78.4 Co4 F12 N12 O17.6 P2 -
Calculated formula - C59.6 H44 Co4 F12 N12 O17.6 P2 -
Title of publication The First Cobalt Metallacrowns: Preparation and Characterization of Mixed-Valence Cobalt(II/III), Inverse 12-Metallacrown-4 Complexes
Authors of publication Theocharis C. Stamatatos; Stavroula Dionyssopoulou; Georgios Efthymiou; Panayotis Kyritsis; Catherine P. Raptopoulou; Aris Terzis; Ramon Vicente; Albert Escuer; Spyros P. Perlepes
Journal of publication Inorganic Chemistry
Year of publication 2005
Journal volume 44
Pages of publication 3374 - 3376
a 11.867 ± 0.004 Å
b 14.534 ± 0.006 Å
c 12.289 ± 0.005 Å
α 70.09 ± 0.01°
β 80.6 ± 0.01°
γ 69.86 ± 0.01°
Cell volume 1868.5 ± 1.3 Å3
Cell temperature 298 K
Ambient diffraction temperature 298 K
Number of distinct elements 7
Hermann-Mauguin symmetry space group P -1
Hall symmetry space group -P 1
Residual factor for all reflections 0.0838
Residual factor for observed reflections 0.0544
Weighted residual factors for the observed reflections 0.139
Weighted residual factors for all reflections included in the refinement 0.1602
Goodness-of-fit parameter for observed reflections 1.068
Diffraction radiation wavelength 0.71073 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder No
Has Fobs No

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