Information card for entry 4085627

Structure parameters

• Formula: C21 H19 Fe N3 O2
• Calculated formula: C21 H19 Fe N3 O2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[c]82Cn1cc(COc2c(cccc2)C=O)nn1
• Title of publication: Ferrocene and Triazole-Appended Rhodamine Based Multisignaling Sensors for Hg2+and Their Application in Live Cell Imaging
• Authors of publication: Arivazhagan, C.; Borthakur, Rosmita; Ghosh, Sundargopal
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 1147
• a: 13.6719 ± 0.0004 Å
• b: 7.7217 ± 0.0002 Å
• c: 34.574 ± 0.002 Å
• α: 90°
• β: 97.375 ± 0.004°
• γ: 90°
• Cell volume: 3619.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No