Information card for entry 7006078

Structure parameters

• Chemical name: Bis(6-methyl-5,7,12,13-tetrahydrodibenzo[c,g]selenoninium) hexachlorotitanate(IV) dichloromethane solvate
• Formula: C36 H42 Cl10 Se2 Ti
• Calculated formula: C36 H42 Cl10 Se2 Ti
• SMILES: C1c2ccccc2CCc2ccccc2C[Se+]1C.C(Cl)Cl.Cl[Ti](Cl)(Cl)(Cl)([Cl-])[Cl-].C1c2ccccc2CCc2ccccc2C[Se+]1C.C(Cl)Cl
• Title of publication: Thio- and seleno-ether complexes with Group 4 tetrahalides and tin tetrachloride: preparation and use in CVD for metal chalcogenide films.
• Authors of publication: Reid, Stuart D.; Hector, Andrew L.; Levason, William; Reid, Gillian; Waller, Benjamin J.; Webster, Michael
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 42
• Pages of publication: 4769 - 4777
• a: 9.0027 ± 0.001 Å
• b: 9.955 ± 0.002 Å
• c: 12.413 ± 0.003 Å
• α: 97.211 ± 0.01°
• β: 109.899 ± 0.01°
• γ: 93.532 ± 0.01°
• Cell volume: 1031.3 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No