Information card for entry 2103800

Structure parameters

• Chemical name: Tetra-aqua-(14-methyl-2,5,8-trioxa-11,14,17-triaza-1$2!,9$2!-dihydroxy- -1,9(1,3)-dibenzenacyclo-octadecaphane-10,17-diene)-cerium(iii) trichloride monohydrate
• Formula: C46 H78 Ce2 Cl6 N6 O20
• Calculated formula: C46 Ce2 Cl6 N6 O20
• Title of publication: 22 Space-group changes
• Authors of publication: Clemente, Dore Augusto; Marzotto, Armando
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: 43 - 50
• a: 10.983 ± 0.005 Å
• b: 16.96 ± 0.006 Å
• c: 9.058 ± 0.004 Å
• α: 90°
• β: 98.03 ± 0.07°
• γ: 90°
• Cell volume: 1670.7 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No