Information card for entry 7230004

Structure parameters

• Formula: C25 H18 Fe N2
• Calculated formula: C25 H17 Fe N2
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[c]5([cH]6[cH]7[cH]81)c1[nH]c2c3ccccc3c3ccccc3c2n1
• Title of publication: The first colorimetric receptor for the B4O72− anion based on nitro substituted phenanthroimidazole ferrocene derivatives
• Authors of publication: Wu, Pei; Wang, Guo; Zhou, Lu; Lu, Jing; Wang, Jianchun
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 3782
• a: 9.746 ± 0.002 Å
• b: 19.123 ± 0.004 Å
• c: 19.154 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3569.8 ± 1.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No