Information card for entry 7103643

Structure parameters

• Formula: C85 H77 Cl3 N16 O6 Sm
• Calculated formula: C85 H71 Cl3 N16 O6 Sm
• Title of publication: Synthesis, spectroscopic characterisation and structure of the first chiral heteroleptic bis(phthalocyaninato) rare earth complexes
• Authors of publication: Bian, Yongzhong; Wang, Rongming; Jiang, Jianzhuang; Lee, Chi-Hang; Wang, Jinzhi; Ng, Dennis K. P.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 10
• Pages of publication: 1194 - 1195
• a: 21.058 ± 0.007 Å
• b: 17.615 ± 0.006 Å
• c: 21.066 ± 0.007 Å
• α: 90°
• β: 90 ± 0.005°
• γ: 90°
• Cell volume: 7815 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.143
• Residual factor for significantly intense reflections: 0.1056
• Weighted residual factors for significantly intense reflections: 0.2931
• Weighted residual factors for all reflections included in the refinement: 0.3165
• 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: Yes
• Has Fobs: No