Information card for entry 1564970

Structure parameters

• Formula: C22 H22 Fe N2 Se2
• Calculated formula: C22 H22 Fe N2 Se2
• SMILES: [Se]=C1N(C[c]23[cH]4[Fe]56789%102([cH]3[cH]6[cH]45)[cH]2[cH]7[cH]%10[cH]9[cH]82)C=CN1CC[Se]c1ccccc1
• Title of publication: Ferrocenylated Chalcogen (Se and Te)-containing N-heterocyclic carbenes: Selenones, silver and palladium complexes
• Authors of publication: Gonzalez, Rodary; Azpiroz, Ramón; Sharma, Pankaj; Villamizar C, Claudia P.; Anzaldo, Bertin; Pérez-Flores, Francisco J.; Toscano, Ruben Alfredo
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 506
• Pages of publication: 119531
• a: 14.0188 ± 0.0006 Å
• b: 10.0612 ± 0.0004 Å
• c: 14.3661 ± 0.0005 Å
• α: 90°
• β: 97.348 ± 0.001°
• γ: 90°
• Cell volume: 2009.64 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.01 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: 0.0268
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No