Information card for entry 4062451

Structure parameters

• Common name: [Ti(Ch2Ph)2(C7H12N3)2]
• Formula: C28 H38 N6 Ti
• Calculated formula: C28 H38 N6 Ti
• SMILES: [Ti]12(N3C4=[N]1CCCN4CCC3)(N1C3=[N]2CCCN3CCC1)(Cc1ccccc1)Cc1ccccc1
• Title of publication: Exploration of the Suitability of Bicyclic Guanidinates as Ligands in Catalytic Chemistry Mediated by Titanium
• Authors of publication: Coles, Martyn P.; Hitchcock, Peter B.
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Journal issue: 25
• Pages of publication: 5201 - 5211
• a: 9.3107 ± 0.0003 Å
• b: 9.3107 ± 0.0003 Å
• c: 30.4556 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2640.17 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No