Information card for entry 7234291

Structure parameters

• Formula: C78 H86 Cl18 N12 O20 Ru
• Calculated formula: C78 H86 Cl18 N12 O20 Ru
• Title of publication: The crucial role of self-assembly in nonlinear optical properties of polymeric composites based on crown-substituted ruthenium phthalocyaninate
• Authors of publication: Yulia G. Gorbunova; Antonina D. Grishina; Alexander G. Martynov; Tatiyana V. Krivenko; Alexandra A. Isakova; Vladimir V. Savel'ev; Sergey E. Nefedov; Evgeny V. Abkhalimov; Anatoly V. Vannikov; Aslan Yu. Tsivadze
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 6692 - 6700
• a: 12.3589 ± 0.0011 Å
• b: 14.041 ± 0.0012 Å
• c: 14.1355 ± 0.0012 Å
• α: 96.287 ± 0.002°
• β: 104.612 ± 0.001°
• γ: 102.61 ± 0.002°
• Cell volume: 2280.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.155
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No