Information card for entry 1518800

Structure parameters

• Formula: C35 H37 F9 Mo2 N2 O6
• Calculated formula: C35 H37 F9 Mo2 N2 O6
• SMILES: [Mo]1234[Mo](N(c5[n]1c(ccc5)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)([O]=C(O2)C(F)(F)F)(OC(=[O]3)C(F)(F)F)[O]=C(O4)C(F)(F)F
• Title of publication: Synthesis and structure of mixed carboxylate-aminopyridinate and -amidinate complexes of dimolybdenum and ditungsten
• Authors of publication: Irene Mendoza; Natalia Curado; Mario Carrasco; Eleuterio Alvarez; Riccardo Peloso; Amor Rodriguez; Ernesto Carmona
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2015
• Journal volume: 424
• Pages of publication: 120 - 128
• a: 12.1583 ± 0.0006 Å
• b: 16.7986 ± 0.0008 Å
• c: 18.7477 ± 0.001 Å
• α: 90°
• β: 94.692 ± 0.002°
• γ: 90°
• Cell volume: 3816.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0311
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No