Information card for entry 1534094

Structure parameters

• Formula: C79 H60 Cl2 N10 O7 Ru
• Calculated formula: C78 H58 N10 O7 Ru
• SMILES: [Ru]1234([n]5ccccc5c5[n]1c(cc(c5)c1ccc(cc1)c1ccc(N(c5ccccc5)c5ccccc5)cc1)c1[n]2cccc1)[n]1ccccc1c1[n]3c(cc(c1)c1ccc(cc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1[n]4cccc1.O=N(=O)[O-].O=N(=O)[O-].O
• Title of publication: Synthesis and Electrochromic Properties of New Terpyridine‒Triphenylamine Hybrid Polymers
• Authors of publication: Fan, Congbin; Ye, Changqing; Wang, Xiaomei; Chen, Zhigang; Zhou, Yuyang; Liang, Zuoqin; Tao, Xutang
• Journal of publication: Macromolecules
• Year of publication: 2015
• Journal volume: 48
• Journal issue: 18
• Pages of publication: 6465
• a: 12.6643 ± 0.0014 Å
• b: 15.7605 ± 0.0017 Å
• c: 18.076 ± 0.002 Å
• α: 105.968 ± 0.001°
• β: 97.219 ± 0.002°
• γ: 99.105 ± 0.001°
• Cell volume: 3370.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1497
• Residual factor for significantly intense reflections: 0.0932
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No