Information card for entry 4307682

Structure parameters

• Formula: C37 H39 Mo N5 O8 S
• Calculated formula: C37 H39 Mo N5 O8 S
• SMILES: [Mo]123([n]4ccc(cc4c4[n]1ccc(c4)C(=O)Nc1ccc(cc1)C)C(=O)Nc1ccc(cc1)C)(C#[O])(C#[O])(C#[N]C(C)(C)C)[CH2]=[C]2(C3)C.S(=O)(=O)(O)[O-]
• 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: 9.179 ± 0.002 Å
• b: 26.858 ± 0.006 Å
• c: 16.629 ± 0.004 Å
• α: 90°
• β: 102.285 ± 0.004°
• γ: 90°
• Cell volume: 4005.7 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0935
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No