Information card for entry 7035488

Structure parameters

• Formula: C67 H78 Cl3 Mo4 N13 O6 Si
• Calculated formula: C67 H78 Cl3 Mo4 N13 O6 Si
• Title of publication: Molybdenum complexes derived from the oxydianiline [(2-NH2C6H4)2O]: synthesis, characterization and ε-caprolactone ROP capability.
• Authors of publication: Yang, Wenxue; Zhao, Ke-Qing; Redshaw, Carl; Elsegood, Mark R. J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 29
• Pages of publication: 13133 - 13140
• a: 12.7371 ± 0.0004 Å
• b: 25.9749 ± 0.0008 Å
• c: 24.2388 ± 0.0008 Å
• α: 90°
• β: 100.067 ± 0.0005°
• γ: 90°
• Cell volume: 7895.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No