Information card for entry 7058009

Structure parameters

• Formula: C15 H30 N9 O12 Pr S3
• Calculated formula: C15 H30 N9 O12 Pr S3
• Title of publication: Different coordination geometries of lighter lanthanates driven by the symmetry of guanidines as charge compensators
• Authors of publication: Packiaraj, S.; Kanchana, P.; Pushpaveni, A.; Puschmann, H.; Govindarajan, S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 2
• Pages of publication: 979
• a: 10.8781 ± 0.0003 Å
• b: 10.8781 ± 0.0003 Å
• c: 15.3633 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1574.42 ± 0.07 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 190
• Hermann-Mauguin space group symbol: P -6 2 c
• Hall space group symbol: P -6c -2c
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No