Information card for entry 2007350

Structure parameters

• Formula: C60 H98 Cd N4 O6
• Calculated formula: C60 H98 Cd N4 O6
• Title of publication: Aquabis(3-methyl-4-octanoyl-1-phenyl-5-pyrazolonato-<i>O</i>,<i>O</i>')zinc(II) and Bis(ethanol-<i>O</i>)bis(3-methyl-1-phenyl-4-stearoyl-5-pyrazolonato-<i>O</i>,<i>O</i>')cadmium(II)
• Authors of publication: Mickler, Wulfhard; Reich, Annett; Sawusch, Stefan; Schilde, Uwe; Uhlemann, Erhard
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 776 - 779
• a: 8.817 ± 0.006 Å
• b: 9.361 ± 0.007 Å
• c: 19.06 ± 0.02 Å
• α: 101.48 ± 0.07°
• β: 99.58 ± 0.09°
• γ: 99.1 ± 0.09°
• Cell volume: 1490 ± 2 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.102
• Weighted residual factors for significantly intense reflections: 0.0961
• Goodness-of-fit parameter for all reflections: 0.973
• Goodness-of-fit parameter for significantly intense reflections: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No