Information card for entry 4083591

Structure parameters

• Formula: C27 H21 Fe N3 O6 W
• Calculated formula: C27 H21 Fe N3 O6 W
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[c]6([cH]7[cH]82)Cn1c(c(C(OCC)=[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])nn1)c1ccccc1
• Title of publication: Triazolyl Alkoxy Fischer Carbene Complexes in Conjugation with Ferrocene/Pyrene as Sensory Units: Multifunctional Chemosensors for Lead(II), Copper(II), and Zinc(II) Ions
• Authors of publication: Ponniah S, Joseph; Barik, Subrat Kumar; Thakur, Arunabha; Ganesamoorthi, R.; Ghosh, Sundargopal
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 12
• Pages of publication: 3096
• a: 11.7886 ± 0.0005 Å
• b: 21.507 ± 0.001 Å
• c: 11.32 ± 0.0005 Å
• α: 90°
• β: 111.98 ± 0.002°
• γ: 90°
• Cell volume: 2661.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0434
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No