Information card for entry 1518803

Structure parameters

• Formula: C46 H48 Mo2 N4 O4
• Calculated formula: C46 H48 Mo2 N4 O4
• SMILES: [Mo]1234[Mo]([O]=C(O2)C)(OC(=[O]1)C)([n]1c(N4c2c(cccc2C)C)cccc1c1c(cccc1C)C)N(c1[n]3c(ccc1)c1c(cccc1C)C)c1c(cccc1C)C
• 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: 9.6189 ± 0.0002 Å
• b: 10.2292 ± 0.0002 Å
• c: 12.1372 ± 0.0003 Å
• α: 109.515 ± 0.001°
• β: 94.157 ± 0.001°
• γ: 107.992 ± 0.001°
• Cell volume: 1049.82 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No