Information card for entry 7051289

Structure parameters

• Formula: C62 H54 Cu F6 N2 O2 P5
• Calculated formula: C62 H54 Cu F6 N2 O2 P5
• SMILES: [Cu]12([P](N([P]1(c1ccccc1)c1ccccc1)c1c(cccc1)OC)(c1ccccc1)c1ccccc1)[P](N([P]2(c1ccccc1)c1ccccc1)c1c(cccc1)OC)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Molybdenum(0), ruthenium(II), palladium(II), platinum(II), copper(I) and gold(I) complexes of a new methoxy functionalised bis(phosphino)amine: synthesis and structure
• Authors of publication: Gaw, Kirsty G.; Smith, Martin B.; Slawin, Alexandra M. Z.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2000
• Journal volume: 24
• Journal issue: 6
• Pages of publication: 429
• a: 11.15 ± 0.0002 Å
• b: 30.8735 ± 0.0004 Å
• c: 17.2571 ± 0.0003 Å
• α: 90°
• β: 94.393 ± 0.001°
• γ: 90°
• Cell volume: 5923.12 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1745
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections: 0.2015
• Weighted residual factors for significantly intense reflections: 0.1269
• Goodness-of-fit parameter for all reflections: 0.963
• Goodness-of-fit parameter for significantly intense reflections: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No