Information card for entry 1518802

Structure parameters

• Formula: C68 H88 F6 Mo2 N4 O4
• Calculated formula: C68 H88 F6 Mo2 N4 O4
• SMILES: [Mo]1234[Mo]([O]=C(O1)C(F)(F)F)(OC(=[O]2)C(F)(F)F)(N(c1[n]3c(ccc1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)N(c1[n]4c(ccc1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.CCCCCC
• 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: 22.0604 ± 0.0011 Å
• b: 13.642 ± 0.0006 Å
• c: 23.0026 ± 0.001 Å
• α: 90°
• β: 107.66 ± 0.002°
• γ: 90°
• Cell volume: 6596.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No