Information card for entry 2223220

Structure parameters

• Chemical name: {1,1'-[(2,2-Dimethylpropane-1,3-diyl)bis(nitrilomethylidyne)]di-2- naphtholato}dioxidomolybdenum(VI) dichloromethane 1.75-solvate
• Formula: C28.75 H27.5 Cl3.5 Mo N2 O4
• Calculated formula: C28.75 H27.5 Cl3.5 Mo N2 O4
• Title of publication: {1,1'-[(2,2-Dimethylpropane-1,3-diyl)bis(nitrilomethylidyne)]di-2-naphtholato}dioxidomolybdenum(VI) dichloromethane 1.75-solvate
• Authors of publication: Monadi, Niaz; Sheikhshoaie, Iran; Rezaeifard, Abdoreza; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m1124 - m1125
• a: 27.6049 ± 0.0018 Å
• b: 10.7743 ± 0.0008 Å
• c: 21.6474 ± 0.0014 Å
• α: 90°
• β: 112.861 ± 0.007°
• γ: 90°
• Cell volume: 5932.7 ± 0.8 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: 0.0423
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes