Information card for entry 4305765

Structure parameters

• Chemical name: 1,4-Bis[bis(bis(o-methoxyphenoxy)phosphino)amino] benzene-1
• Formula: C62 H60 N2 O16 P4
• Calculated formula: C62 H60 N2 O16 P4
• SMILES: N(P(Oc1ccccc1OC)Oc1ccccc1OC)(P(Oc1ccccc1OC)Oc1ccccc1OC)c1ccc(N(P(Oc2ccccc2OC)Oc2ccccc2OC)P(Oc2ccccc2OC)Oc2ccccc2OC)cc1
• Title of publication: New Tetraphosphane Ligands {(X2P)2NC6H4N(PX2)2} (X = Cl, F, OMe, OC6H4OMe-o): Synthesis, Derivatization, Group 10 and 11 Metal Complexes and Catalytic Investigations. DFT Calculations on Intermolecular P...P Interactions in Halo-Phosphines
• Authors of publication: Chelladurai Ganesamoorthy; Maravanji S. Balakrishna; Joel T. Mague; Heikki M. Tuononen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7035 - 7047
• a: 15.611 ± 0.002 Å
• b: 17.516 ± 0.002 Å
• c: 21.384 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5847.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No