Information card for entry 7012016

Structure parameters

• Formula: C78 H88 N5 Nd O16 P4
• Calculated formula: C78 H52 N5 Nd O16 P4
• Title of publication: Synthesis and coordination chemistry of arene soluble 4-alkyl-2,6-bis[(diphenylphosphino)methyl]pyridine N,P,P'-trioxide ligands
• Authors of publication: Xin-Min Gan; Robert T. Paine; Eileen N. Duesler; Heinrich Nöth
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 1
• Pages of publication: 153 - 159
• a: 16.905 ± 0.003 Å
• b: 18.322 ± 0.003 Å
• c: 31.301 ± 0.005 Å
• α: 89.17 ± 0.01°
• β: 77.158 ± 0.013°
• γ: 64.186 ± 0.011°
• Cell volume: 8472 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1928
• Residual factor for significantly intense reflections: 0.106
• Weighted residual factors for significantly intense reflections: 0.2867
• Weighted residual factors for all reflections included in the refinement: 0.3519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No