Information card for entry 4307681

Structure parameters

• Formula: C48 H60 Cl2 Mo N5 O4
• Calculated formula: C48 H60 Cl2 Mo N5 O4
• SMILES: [Mo]123(Cl)([n]4ccc(C(=O)Nc5ccc(cc5)C)cc4c4[n]1ccc(C(=O)Nc1ccc(cc1)C)c4)(C#[O])(C#[O])[CH2]=[C]2(C3)C.[Cl-].[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Biimidazole and Bis(amide)bipyridine Molybdenum Carbonyl Complexes as Anions Receptors
• Authors of publication: Laura Ion; Dolores Morales; Sonia Nieto; Julio Pérez; Lucía Riera; Víctor Riera; Daniel Miguel; Richard A. Kowenicki; Mary McPartlin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2846 - 2853
• a: 14.431 ± 0.017 Å
• b: 15.904 ± 0.019 Å
• c: 21.68 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4976 ± 11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No