Information card for entry 8102071

Structure parameters

• Chemical name: bis(3,5-diisopropylsalicylato)(neocuproine)cadmium(II)
• Formula: C40 H46 Cd N2 O6
• Calculated formula: C40 H46 Cd N2 O6
• Title of publication: Crystal structure of bis(3,5-diisopropylsalicylato)(neocuproine)cadmium (II), Cd(C~13~H~17~O~3~)~2~(C~14~H~12~N~2~)
• Authors of publication: Tomas, A.; Retailleau, P.; Viossat, B.; Prangé, T.; Lemoine, P.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 4
• Pages of publication: 517 - 519
• a: 9.87 ± 0.003 Å
• b: 13.971 ± 0.004 Å
• c: 14.491 ± 0.004 Å
• α: 105.98 ± 0.02°
• β: 99.23 ± 0.02°
• γ: 100.26 ± 0.02°
• Cell volume: 1843.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2005
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No