Information card for entry 7038121

Structure parameters

• Formula: C24 H27 Cl2 N2 P Ti
• Calculated formula: C24 H27 Cl2 N2 P Ti
• SMILES: [Ti]12(Cl)(Cl)[P](CCCN1c1ccccc1)(CCCN2c1ccccc1)c1ccccc1
• 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: 8.314 ± 0.003 Å
• b: 19.255 ± 0.008 Å
• c: 15.27 ± 0.007 Å
• α: 90°
• β: 104.617 ± 0.008°
• γ: 90°
• Cell volume: 2365.4 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• 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: 0.0375
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No