Information card for entry 4337273

Structure parameters

• Formula: C50.5 H41.5 Ho2 N9.5 O9 S3
• Calculated formula: C50.5 H41.5 Ho2 N9.5 O9 S3
• 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: 11.7069 ± 0.0002 Å
• b: 14.9767 ± 0.0003 Å
• c: 18.9807 ± 0.0004 Å
• α: 108.372 ± 0.001°
• β: 99.923 ± 0.001°
• γ: 105.442 ± 0.001°
• Cell volume: 2922.39 ± 0.1 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: 0.0462
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No