Information card for entry 4323906

Structure parameters

• Chemical name: tetrabutylammonium bis(phtahlocyaninato)-lutetium(iii) water solvate
• Formula: C80 H70 Lu N17 O
• Calculated formula: C80 H28 Lu N17 O2.4
• 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: 18.171 ± 0.003 Å
• b: 18.171 Å
• c: 10.987 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3627.7 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 129
• Hermann-Mauguin space group symbol: P 4/n m m :2
• Hall space group symbol: -P 4a 2a
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections: 0.1508
• Weighted residual factors for significantly intense reflections: 0.1343
• Goodness-of-fit parameter for all reflections: 1.078
• Goodness-of-fit parameter for significantly intense reflections: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No