Information card for entry 7038124

Structure parameters

• Formula: C30 H47 N4 P Si2 Zr
• Calculated formula: C30 H47 N4 P Si2 Zr
• SMILES: [Zr]12([P](Cc3c(N1[Si](C)(C)C)cccc3)(Cc1c(N2[Si](C)(C)C)cccc1)c1ccccc1)(N(C)C)N(C)C
• Title of publication: Diamidophosphines with six-membered chelates and their coordination chemistry with group 4 metals: development of a trimethylene-methane-tethered [PN2]-type "molecular claw".
• Authors of publication: Batke, S.; Kothe, T.; Haas, M.; Wadepohl, H.; Ballmann, J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3528 - 3540
• a: 10.232 ± 0.004 Å
• b: 11.587 ± 0.005 Å
• c: 15.894 ± 0.007 Å
• α: 87.52 ± 0.008°
• β: 74.549 ± 0.01°
• γ: 66.993 ± 0.011°
• Cell volume: 1667.9 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No