Information card for entry 4305769

Structure parameters

• Chemical name: /m-{1,4-Bis[bis(bis(o-methoxyphenoxy)phosphino)amino] benzene}bis{μ-dibromobis(acetonitrile)dicopper(I)} acetonitrile solvate
• Formula: C74 H78 Br4 Cu4 N8 O16 P4
• Calculated formula: C74 H78 Br4 Cu4 N8 O16 P4
• 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: 9.8172 ± 0.0006 Å
• b: 13.6523 ± 0.0008 Å
• c: 16.417 ± 0.001 Å
• α: 107.528 ± 0.001°
• β: 98.468 ± 0.001°
• γ: 97.337 ± 0.001°
• Cell volume: 2040.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No