Information card for entry 4342726

Structure parameters

• Formula: C33 H74 B36 Cl2 Co2 N2 O4
• Calculated formula: C33 H74 B36 Cl2 Co2 N2 O4
• Title of publication: The Synthesis and Structural Characterization of Polycyclic Derivatives of Cobalt Bis(dicarbollide)(1(-)).
• Authors of publication: Grüner, Bohumír; Šícha, Václav; Hnyk, Drahomír; Londesborough, Michael G. S.; Císařová, Ivana
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 3148 - 3158
• a: 7.3301 ± 0.0001 Å
• b: 32.8341 ± 0.0008 Å
• c: 13.0658 ± 0.0003 Å
• α: 90°
• β: 93.74 ± 0.001°
• γ: 90°
• Cell volume: 3137.94 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.072
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No