Information card for entry 7006022

Structure parameters

• Formula: C22 H37 Cl2 N Si2 Ti
• Calculated formula: C22 H37 Cl2 N Si2 Ti
• SMILES: [Ti]12345678(Cl)(Cl)([c]9([Si](C)(C)C)[cH]1[c]2([Si](C)(C)C)[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[c]81C1CCN(CC1)C
• Title of publication: Functionalised cyclopentadienyl titanium compounds as potential anticancer drugs.
• Authors of publication: Allen, Olivia R.; Gott, Andrew L.; Hartley, John A.; Hartley, Janet M.; Knox, Richard J.; McGowan, Patrick C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 43
• Pages of publication: 5082 - 5090
• a: 10.3621 ± 0.0002 Å
• b: 14.6464 ± 0.0002 Å
• c: 18.202 ± 0.0004 Å
• α: 107.877 ± 0.001°
• β: 94.893 ± 0.001°
• γ: 102.281 ± 0.001°
• Cell volume: 2535.02 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No