Information card for entry 7707603

Structure parameters

• Formula: C29 H60 Co N14 O2 S9 U
• Calculated formula: C29 H60 Co N14 O2 S9 U
• Title of publication: Bimetallic uranyl/cobalt(II) isothiocyanates: structure, property and spectroscopic analysis of homo- and heterometallic phases.
• Authors of publication: Byrne, Nicole M.; Schofield, Mark H.; Nicholas, Aaron D.; Cahill, Christopher L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 26
• Pages of publication: 9158 - 9172
• a: 16.8276 ± 0.0014 Å
• b: 14.909 ± 0.0012 Å
• c: 21.4545 ± 0.0015 Å
• α: 90°
• β: 102.888 ± 0.003°
• γ: 90°
• Cell volume: 5247 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No