Information card for entry 4061404

Structure parameters

• Formula: C42 H48 N6 P2 Ti
• Calculated formula: C42 H48 N6 P2 Ti
• SMILES: [Ti]12([n]3ccccc3N1P(c1ccccc1)c1ccccc1)([n]1ccccc1N2P(c1ccccc1)c1ccccc1)(N(CC)CC)N(CC)CC
• Title of publication: Formation of Elastomeric Polypropylene Promoted by a Dynamic Octahedral Titanium Complex
• Authors of publication: Smolensky, Elena; Kapon, Moshe; Woollins, J. Derek; Eisen, Moris S.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal issue: 13
• Pages of publication: 3255 - 3265
• a: 10.064 ± 0.0001 Å
• b: 18.313 ± 0.0003 Å
• c: 22.05 ± 0.0004 Å
• α: 90°
• β: 95.666 ± 0.0006°
• γ: 90°
• Cell volume: 4044 ± 0.11 ų
• Cell temperature: 230 ± 0.1 K
• Ambient diffraction temperature: 230 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No