Information card for entry 7054095

Structure parameters

• Formula: C177 H133.5 Cl8 N32.5 O34 Zn4
• Calculated formula: C177 H133.5 Cl8 N32.5 O34 Zn4
• Title of publication: Transition metal complexes of a super rigid anthyridine ligand: structural, magnetic and DFT studies
• Authors of publication: Wang, Wen-Zhen; Hsieh, Chang-Lin; Ismayilov, Rayyat H.; Hsu, Chia-Hung; Liu, Isiah Po-Chun; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 11
• Pages of publication: 2340
• a: 13.6133 ± 0.0003 Å
• b: 69.9138 ± 0.0014 Å
• c: 19.1264 ± 0.0005 Å
• α: 90°
• β: 99.834 ± 0.002°
• γ: 90°
• Cell volume: 17936.2 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1583
• Residual factor for significantly intense reflections: 0.1237
• Weighted residual factors for significantly intense reflections: 0.304
• Weighted residual factors for all reflections included in the refinement: 0.3157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.831
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No