Information card for entry 4082857

Structure parameters

• Formula: C38 H33 Cl N4 O3 Pt
• Calculated formula: C38 H33 Cl N4 O3 Pt
• SMILES: [Pt]12(c3c(c4[n]2c2c(n4c4ccc(OC)cc4)cccc2)cc(OCCCC)cc3c2[n]1c1c(n2c2ccc(OC)cc2)cccc1)Cl
• Title of publication: Neutral and Cationic NCN Pincer Platinum(II) Complexes with 1,3-Bis(benzimidazol-2′-yl)benzene Ligands: Synthesis, Structures, and Their Photophysical Properties
• Authors of publication: Wang, Zhao; Sun, Zheming; Hao, Xin-Qi; Niu, Jun-Long; Wei, Donghui; Tu, Tao; Gong, Jun-Fang; Song, Mao-Ping
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1563
• a: 10.3147 ± 0.0004 Å
• b: 11.7051 ± 0.0004 Å
• c: 15.0053 ± 0.0004 Å
• α: 105.88 ± 0.003°
• β: 95.976 ± 0.003°
• γ: 104.472 ± 0.003°
• Cell volume: 1658.04 ± 0.11 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 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: 0.036
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No