Information card for entry 4066208

Structure parameters

• Formula: C34 H46 N4 P2 Zr
• Calculated formula: C34 H46 N4 P2 Zr
• SMILES: c1(ccccc1)[P]1(c2ccccc2)N(C(C)C)[Zr]21(N(C)C)(N([P]2(c1ccccc1)c1ccccc1)C(C)C)N(C)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: 16.583 ± 0.0009 Å
• b: 27.4822 ± 0.0015 Å
• c: 10.0945 ± 0.0005 Å
• α: 90°
• β: 123.198 ± 0.002°
• γ: 90°
• Cell volume: 3849.6 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for all reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No