Information card for entry 7113287

Structure parameters

• Formula: C48 H52 Cl2 Mo2 N6 P2
• Calculated formula: C48 H52 Cl2 Mo2 N6 P2
• SMILES: [Mo]123([Mo]4(Cl)([P](c5c(N34)cccc5)(c3ccccc3)c3ccccc3)(=NC(C)(C)C)N2c2ccccc2[P]1(c1ccccc1)c1ccccc1)(Cl)=NC(C)(C)C.N#CC.N#CC
• Title of publication: New coordination modes at molybdenum for 2-diphenylphosphinoaniline derived ligands
• Authors of publication: Redshaw, Carl; Gibson, Vernon C.; Elsegood, Mark R. J.; Clegg, William
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2007
• Journal issue: 19
• Pages of publication: 1951 - 1953
• a: 11.2101 ± 0.0005 Å
• b: 12.7462 ± 0.0006 Å
• c: 18.1549 ± 0.0009 Å
• α: 104.754 ± 0.002°
• β: 102.967 ± 0.002°
• γ: 92.947 ± 0.002°
• Cell volume: 2428.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7101891
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No