Information card for entry 4337275

Structure parameters

• Formula: C49.25 H46 N9 O11.25 S3 Tb2
• Calculated formula: C49.25 H46 N9 O11.25 S3 Tb2
• Title of publication: Structural rearrangement through lanthanide contraction in dinuclear complexes.
• Authors of publication: Hutchings, Amy-Jayne; Habib, Fatemah; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 2102 - 2112
• a: 11.7308 ± 0.0005 Å
• b: 15.0179 ± 0.0006 Å
• c: 19.0123 ± 0.0007 Å
• α: 108.212 ± 0.002°
• β: 100.009 ± 0.001°
• γ: 105.431 ± 0.001°
• Cell volume: 2943.7 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.053
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No