Information card for entry 7008537

Structure parameters

• Formula: C30 H29 Cl N P Zr
• Calculated formula: C30 H29 Cl N P Zr
• SMILES: [Zr]123456789(Cl)(N([P]9(c9ccccc9)c9ccccc9)[C@@H](c9ccccc9)C)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: Zirconium complexes having a chiral phosphanylamide in the co-ordination sphere.
• Authors of publication: Wiecko, Michal; Girnt, Denise; Rastätter, Marcus; Panda, Tarun K.; Roesky, Peter W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 12
• Pages of publication: 2147 - 2150
• a: 8.6973 ± 0.0006 Å
• b: 10.8436 ± 0.0006 Å
• c: 13.5907 ± 0.0006 Å
• α: 90°
• β: 94.583 ± 0.004°
• γ: 90°
• Cell volume: 1277.64 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0214
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No