Information card for entry 4323904

Structure parameters

• Chemical name: tetrabutylammonium bis(phtahlocyaninato)-gadolinium(iii)
• Formula: C80 H68 Gd N17
• Calculated formula: C80.04 H32 Gd N17
• Title of publication: Relationship between the Skew Angle and Interplanar Distance in Four Bis(phthalocyaninato)lanthanide(III) Tetrabutylammonium Salts ([NBun4][LnIIIPc2]; Ln = Nd, Gd, Ho, Lu)
• Authors of publication: Naoto Koike; Hidehiro Uekusa; Yuji Ohashi; Chokto Harnoode; Fusao Kitamura; Takeo Ohsaka; Koichi Tokuda
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 5798 - 5804
• a: 17.399 ± 0.008 Å
• b: 17.399 Å
• c: 11.377 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3444 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 90
• Hermann-Mauguin space group symbol: P 4 21 2
• Hall space group symbol: P 4ab 2ab
• Residual factor for all reflections: 0.1124
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections: 0.2531
• Weighted residual factors for significantly intense reflections: 0.2124
• Goodness-of-fit parameter for all reflections: 1.054
• Goodness-of-fit parameter for significantly intense reflections: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No