Information card for entry 4082855

Structure parameters

• Formula: C32 H37 Cl N4 O Pt
• Calculated formula: C32 H37 Cl N4 O Pt
• SMILES: [Pt]12(c3c(c4n(c5c([n]14)cccc5)CCCC)cc(OCCCC)cc3c1[n]2c2ccccc2n1CCCC)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: 14.8937 ± 0.0007 Å
• b: 17.9595 ± 0.0006 Å
• c: 22.5016 ± 0.0008 Å
• α: 93.809 ± 0.003°
• β: 95.077 ± 0.003°
• γ: 92.866 ± 0.003°
• Cell volume: 5972.5 ± 0.4 ų
• Cell temperature: 291 K
• Ambient diffraction temperature: 291 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: 0.072
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No