Information card for entry 7239125

Structure parameters

• Formula: C200 H196 N36 O40 Ti4 Zn4
• Calculated formula: C200 H196 N36 O40 Ti4 Zn4
• Title of publication: A tetrameric hetero-octanuclear cyclic helicate formed from a bridging ligand with two inequivalent binding sites
• Authors of publication: Metherell, A. J.; Ward, M. D.
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 34
• Pages of publication: 14281
• a: 45.96 ± 0.03 Å
• b: 14.997 ± 0.008 Å
• c: 34.57 ± 0.02 Å
• α: 90°
• β: 119.729 ± 0.008°
• γ: 90°
• Cell volume: 20692 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1367
• Residual factor for significantly intense reflections: 0.109
• Weighted residual factors for significantly intense reflections: 0.2759
• Weighted residual factors for all reflections included in the refinement: 0.3
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No