Information card for entry 4039030

Structure parameters

• Formula: C17 H17 Mo N2 O5.5
• Calculated formula: C17 H16 Mo N2 O5.5
• Title of publication: Synthesis, Theoretical Study and Catalytic Application of Oxidometal (Mo or V) Complexes: Unexpected Coordination Due to Ligand Rearrangement through Metal-Mediated C-C Bond Formation
• Authors of publication: Sagarika Pasayat; Michael Böhme; Sarita Dhaka; Subhashree P. Dash; Sudarshana Majumder; Mannar R. Maurya; Winfried Plass; Werner Kaminsky; Rupam Dinda
• Journal of publication: European Journal of Inorganic Chemistry
• Year of publication: 2016
• Journal volume: 2016
• Journal issue: 10
• Pages of publication: 1604 - 1618
• a: 8.4739 ± 0.0005 Å
• b: 9.6684 ± 0.0005 Å
• c: 11.5506 ± 0.0007 Å
• α: 94.101 ± 0.001°
• β: 109.953 ± 0.001°
• γ: 96.811 ± 0.001°
• Cell volume: 876.87 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0294
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No