Information card for entry 4323903

Structure parameters

• Chemical name: tetrabutylammonium bis(phtahlocyaninato)-neodymium(iii)
• Formula: C80 H68 N17 Nd
• Calculated formula: C80 H32 N17 Nd
• 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: 17.0545 ± 0.0006 Å
• b: 17.0545 ± 0.0006 Å
• c: 22.807 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6633.6 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections: 0.1663
• Weighted residual factors for significantly intense reflections: 0.1297
• Goodness-of-fit parameter for all reflections: 1.06
• Goodness-of-fit parameter for significantly intense reflections: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No