Information card for entry 2104561

Structure parameters

• Chemical name: bis(4-Mercaptophenoxy)-bis(2-pyridylmethoxy)-titanium
• Formula: C24 H22 N2 O4 S2 Ti
• Calculated formula: C24 H20 N2 O4 S2 Ti
• SMILES: [Ti]12(OCc3[n]2cccc3)(OCc2[n]1cccc2)(Oc1ccc(S)cc1)Oc1ccc(S)cc1
• Title of publication: Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
• Authors of publication: Marsh, Richard E.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: 782 - 783
• a: 8.406 ± 0.0013 Å
• b: 10.4494 ± 0.0016 Å
• c: 14.278 ± 0.002 Å
• α: 104.405 ± 0.003°
• β: 90.34 ± 0.003°
• γ: 99.668 ± 0.003°
• Cell volume: 1196 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No