Information card for entry 1518799

Structure parameters

• Formula: C35 H39 F9 Mo2 N2 O7
• Calculated formula: C35 H39 F9 Mo2 N2 O7
• SMILES: [Mo]1234[Mo]([O]=C(O1)C(F)(F)F)(OC(=[O]2)C(F)(F)F)([O]=C(O3)C(F)(F)F)N(c1[n]4c(ccc1)c1c(cccc1C)C)c1c(cccc1C(C)C)C(C)C.O(CC)CC
• 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: 10.7675 ± 0.0004 Å
• b: 22.9228 ± 0.001 Å
• c: 16.9966 ± 0.0007 Å
• α: 90°
• β: 107.327 ± 0.001°
• γ: 90°
• Cell volume: 4004.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No