Information card for entry 7038122

Structure parameters

• Formula: C25 H29 Cl4 N2 P Zr
• Calculated formula: C25 H29 Cl4 N2 P Zr
• SMILES: [Zr]12(Cl)(Cl)[P](CCCN1c1ccccc1)(CCCN2c1ccccc1)c1ccccc1.ClCCl
• 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: 8.582 ± 0.003 Å
• b: 11.757 ± 0.005 Å
• c: 14.513 ± 0.005 Å
• α: 66.612 ± 0.007°
• β: 84.723 ± 0.008°
• γ: 75.566 ± 0.012°
• Cell volume: 1301.6 ± 0.9 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: 0.0263
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No