Information card for entry 4505668

Structure parameters

• Chemical name: acetonitrile-aquo-cyclotriveratrylene-silver(I) cobalt(III) bis(dicarbollide) cyclotriveratrylene
• Formula: C60 H87 Ag B18 Co N O13
• Calculated formula: C60 H82 Ag B18 Co N O13
• Title of publication: Variable Ag(I) Coordination Modes in Silver Cobalt(III) Bis(dicarbollide) Supramolecular Assemblies with Cyclotriveratrylene Host Molecules
• Authors of publication: Ahmad, Ruksanna; Hardie, Michaele J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2003
• Journal volume: 3
• Journal issue: 4
• Pages of publication: 493
• a: 20.8368 ± 0.0002 Å
• b: 14.8687 ± 0.0002 Å
• c: 10.8352 ± 0.0001 Å
• α: 90°
• β: 99.651 ± 0.004°
• γ: 90°
• Cell volume: 3309.41 ± 0.07 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.1089
• Weighted residual factors for significantly intense reflections: 0.2708
• Weighted residual factors for all reflections included in the refinement: 0.2763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No