Information card for entry 7026271

Structure parameters

• Common name: FcEB
• Formula: C31 H27 B F2 Fe N2
• Calculated formula: C31 H27 B F2 Fe N2
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)C#Cc1ccc(cc1)C1=c2[n](c(cc2C)C)[B](F)(F)n2c1c(cc2C)C)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: A highly sensitive viscosity probe based on ferrocene-BODIPY dyads.
• Authors of publication: Yin, Xiaodong; Li, Yongjun; Zhu, Yulan; Jing, Xiao; Li, Yuliang; Zhu, Daoben
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 41
• Pages of publication: 9929 - 9935
• a: 7.1395 ± 0.0014 Å
• b: 16.738 ± 0.003 Å
• c: 21.221 ± 0.004 Å
• α: 90°
• β: 91.02 ± 0.03°
• γ: 90°
• Cell volume: 2535.5 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No