Information card for entry 4305452

Structure parameters

• Common name: RF1
• Formula: C37 H36 Fe N4 O2
• Calculated formula: C37 H36 Fe N4 O2
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[c]81\C=N\N1C(=O)c2ccccc2C21c1cc(c(NCC)cc1Oc1cc(NCC)c(cc21)C)C
• Title of publication: Highly Sensitive Multiresponsive Chemosensor for Selective Detection of Hg2+ in Natural Water and Different Monitoring Environments
• Authors of publication: Dayu Wu; Wei Huang; Zhihua Lin; Chunying Duan; Cheng He; Shuo Wu; Dehui Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7190 - 7201
• a: 12.72 ± 0.005 Å
• b: 9.398 ± 0.004 Å
• c: 25.585 ± 0.01 Å
• α: 90°
• β: 100.722 ± 0.006°
• γ: 90°
• Cell volume: 3005 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1202
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No