Information card for entry 7050341

Structure parameters

• Formula: C77 H43 Cl7 Gd N12 O
• Calculated formula: C77 H41 Cl7 Gd N12 O
• Title of publication: Synthesis, Spectroscopic Properties, and Electrochemistry of Heteroleptic Rare Earth Double-Decker Complexes with Phthalocyaninato and meso-Tetrakis(4-chlorophenyl)porphyrinato Ligands
• Authors of publication: Dennis K.P.Ng; Ming Bai; Chi-Fung Choi; Takamitsu Fukuda; Jianzhuang Jiang; Nagao Kobayashi; R.Li; Dongbo Liang; Fanli Lu; Changqin Ma; Xuan Sun; Peihua Zhu
• Journal of publication: New J.Chem.(Nouv.J.Chim.)
• Year of publication: 2004
• a: 38.387 ± 0.017 Å
• b: 18.997 ± 0.008 Å
• c: 26.326 ± 0.011 Å
• α: 90°
• β: 128.062 ± 0.005°
• γ: 90°
• Cell volume: 15116 ± 11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1478
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.234
• Weighted residual factors for all reflections included in the refinement: 0.296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No