Information card for entry 8102123

Structure parameters

• Chemical name: dimethylformamide-diethanolateamine-dioxomolybdenum(VI)
• Formula: C7 H16 Mo N2 O5
• Calculated formula: C7 H16 Mo N2 O5
• SMILES: [Mo]12(OCC[NH]2CCO1)(=O)(=O)[O]=CN(C)C
• Title of publication: Crystal structure of dimethylformamide-diethanolateamine-dioxomolybdenum (VI), MoO~2~[O(CH~2~)~2~NH(CH~2~)~2~O][(CH~3~)~2~NCHO]
• Authors of publication: Zhang, Qingwei; Schulzke, Carola; Schmidt, Hans-Georg; Noltemeyer, Mathias
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 3
• Pages of publication: 215 - 216
• a: 6.6514 ± 0.0013 Å
• b: 12.862 ± 0.003 Å
• c: 25.968 ± 0.005 Å
• α: 90°
• β: 95.82 ± 0.03°
• γ: 90°
• Cell volume: 2210.1 ± 0.8 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• 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: 0.0248
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.226
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No