Information card for entry 4066210

Structure parameters

• Formula: C40 H56 Cl2 N2 O2 P2 Pt Zr
• Calculated formula: C40 H56 Cl2 N2 O2 P2 Pt Zr
• SMILES: [Pt]12([Zr](Cl)(Cl)(N(C(C)C)[P]1(c1ccccc1)c1ccccc1)(N(C(C)C)[P]2(c1ccccc1)c1ccccc1)[O]1CCCC1)(C)C.O1CCCC1
• 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: 9.3496 ± 0.0004 Å
• b: 34.5901 ± 0.0015 Å
• c: 13.6659 ± 0.0005 Å
• α: 90°
• β: 90.455 ± 0.002°
• γ: 90°
• Cell volume: 4419.5 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• 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: 0.03
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for all reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0221
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No