Information card for entry 2018127

Structure parameters

• Chemical name: Di-μ-chlorido-bis[dichloridobis(methylamido-κ<i>N</i>)bis(methylamine- κ<i>N</i>)titanium(IV)]
• Formula: C8 H26 Cl6 N4 Ti2
• Calculated formula: C8 H26 Cl6 N4 Ti2
• SMILES: CN(C)[Ti]1([NH](C)C)(Cl)([Cl][Ti](N(C)C)([NH](C)C)(Cl)([Cl]1)Cl)Cl
• Title of publication: Di-μ-chlorido-bis[dichloridobis(methylamido-κ<i>N</i>)bis(methylamine-κ<i>N</i>)titanium(IV)]
• Authors of publication: Thomas, Tegan; Pugh, David; Parkin, Ivan P.; Carmalt, Claire J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m234 - m236
• a: 10.7088 ± 0.0004 Å
• b: 6.7143 ± 0.0003 Å
• c: 15.7006 ± 0.0005 Å
• α: 90°
• β: 116.515 ± 0.002°
• γ: 90°
• Cell volume: 1010.16 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0327
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes