Information card for entry 2104618

Structure parameters

• Chemical name: bis(4-Adamantylphenoxy)-bis(2-pyridylmethoxy)-titanium
• Formula: C44 H50 N2 O4 Ti
• Calculated formula: C44 H50 N2 O4 Ti
• SMILES: c1(ccc(cc1)C12CC3CC(C2)CC(C1)C3)O[Ti]12([n]3c(CO1)cccc3)([n]1c(CO2)cccc1)Oc1ccc(cc1)C12CC3CC(C2)CC(C1)C3
• 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: 25.844 Å
• b: 13.221 ± 0.008 Å
• c: 12.663 ± 0.008 Å
• α: 90°
• β: 98.278°
• γ: 90°
• Cell volume: 4282 ± 4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No