Information card for entry 4319083

Structure parameters

• Formula: C9 H27 Co N6 O12 S3
• Calculated formula: C9 H27 Co N6 O12 S3
• Title of publication: Intra- and Intermolecular Second-Sphere Coordination Chemistry: Formation of Capsules, Half-Capsules, and Extended Structures with Hexaaquo- and Hexaamminemetal Ions
• Authors of publication: Sean A. Dalrymple; Masood Parvez; George K. H. Shimizu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6986 - 6996
• a: 7.903 ± 0.0016 Å
• b: 14.484 ± 0.003 Å
• c: 20.606 ± 0.004 Å
• α: 89.18 ± 0.03°
• β: 89.45 ± 0.03°
• γ: 77.56 ± 0.03°
• Cell volume: 2303 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1213
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.2094
• Weighted residual factors for all reflections included in the refinement: 0.2248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No