Information card for entry 7021187

Structure parameters

• Formula: C34 H23 Ir N4 O4
• Calculated formula: C34 H23 Ir N4 O4
• SMILES: [Ir]123([n]4c(c5[n]2ccc(c5)C(=O)O)cc(C(=O)[O-])cc4)([n]2c(c4c1cccc4)cccc2)[n]1c(c2c3cccc2)cccc1
• Title of publication: Guest induced morphological transformation from nanospheres to nanowires by hydrogen bond self-assembly.
• Authors of publication: Qin, Lijie; Yang, Hong; Qin, Changyuan; Xiang, Zheyuan; Zhang, Mingming; Ding, Liang; Yi, Tao; Yang, Shiping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 14
• Pages of publication: 4790 - 4794
• a: 8.762 ± 0.0001 Å
• b: 9.718 ± 0.0002 Å
• c: 38.7815 ± 0.0005 Å
• α: 90°
• β: 93.822 ± 0.001°
• γ: 90°
• Cell volume: 3294.87 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0582
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No