Information card for entry 4080326

Structure parameters

• Formula: C24 H19 N3 O2
• Calculated formula: C24 H19 N3 O2
• SMILES: n1c(C(=O)C)cccc1C1=Cc2c(N=C(C1)c1nc(C(=O)C)ccc1)cccc2
• Title of publication: Probing the Characteristics of Mono- or Bimetallic (Iron or Cobalt) Complexes Bearing 2,4-Bis(6-iminopyridin-2-yl)-3H-benzazepines: Synthesis, Characterization, and Ethylene Reactivity
• Authors of publication: Sun, Wen-Hua; Xing, Qifeng; Yu, Jiangang; Novikova, Elena; Zhao, Weizhen; Tang, Xiubo; Liang, Tongling; Redshaw, Carl
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 8
• Pages of publication: 2309
• a: 13.1023 ± 0.0004 Å
• b: 11.437 ± 0.0004 Å
• c: 13.0783 ± 0.0004 Å
• α: 90°
• β: 96.882 ± 0.002°
• γ: 90°
• Cell volume: 1945.68 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No