Information card for entry 4066213

Structure parameters

• Formula: C41 H54 N2 P2 Pt Zr
• Calculated formula: C41 H54 N2 P2 Pt Zr
• SMILES: [Pt]12([Zr](N([P]1(c1ccccc1)c1ccccc1)C(C)C)(N([P]2(c1ccccc1)c1ccccc1)C(C)C)(C)C)(C)C.c1(ccccc1)C
• Title of publication: Electronic Factors Affecting Metal−Metal Interactions in Early/Late Heterobimetallics: Substituent Effects in Zirconium/Platinum Bis(phosphinoamide) Complexes†
• Authors of publication: Cooper, Benjamin G.; Fafard, Claudia M.; Foxman, Bruce M.; Thomas, Christine M.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5179
• a: 19.3441 ± 0.0005 Å
• b: 9.7686 ± 0.0003 Å
• c: 20.5726 ± 0.0006 Å
• α: 90°
• β: 95.573 ± 0.001°
• γ: 90°
• Cell volume: 3869.12 ± 0.19 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for all reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9684
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No