Information card for entry 7121416

Structure parameters

• Formula: C64.5 H60 B3 Cl5 F12 N2 O2 P2 Ru2
• Calculated formula: C64.5 H60 B3 Cl5 F12 N2 O2 P2 Ru2
• Title of publication: A missing member of conjugated N-heterocycles: realizing pyrido[1,2-α]azepine by reacting ruthenium alkenylcarbene complex with alkyne.
• Authors of publication: Zhou, Xiaoxi; Huang, Fanping; Tang, Chun; Zhuo, Qingde; Chen, Zhixin; Zhang, Hong; Xia, Haiping
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 32
• Pages of publication: 4009 - 4012
• a: 13.9016 ± 0.0003 Å
• b: 15.3374 ± 0.0004 Å
• c: 17.6017 ± 0.0005 Å
• α: 84.684 ± 0.002°
• β: 67.829 ± 0.002°
• γ: 74.648 ± 0.002°
• Cell volume: 3351.33 ± 0.16 ų
• Cell temperature: 100.01 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No