Information card for entry 7227565

Structure parameters

• Formula: C72 H50 I6 N6 O14 Y2
• Calculated formula: C72 H50 I6 N6 O14 Y2
• Title of publication: RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials
• Authors of publication: August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 8
• Pages of publication: 1190
• a: 11.1808 ± 0.0005 Å
• b: 12.8254 ± 0.0005 Å
• c: 14.4618 ± 0.0006 Å
• α: 68.892 ± 0.001°
• β: 88.445 ± 0.0011°
• γ: 72.691 ± 0.0009°
• Cell volume: 1839.57 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0711
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No