Information card for entry 4328431

Structure parameters

• Chemical name: cesium 3,3'-commo-(10-iodo-1,2-dicarba-3-cobalta-closo-dodecaborane) -(10'-iodo-1',2'-dicarba-3'-cobalta-closo-dodecaborane)
• Formula: C4 H20 B18 Co Cs I2
• Calculated formula: C4 H20 B18 Co Cs I2
• SMILES: [BH]1234[BH]567[BH]891[BH]1%105[B]5%118(I)[BH]849[BH]493[Co]3%12%13%14%1527([BH]27%16[BH]%17%18%19[BH]%20%217[CH]732[BH]23%20[BH]%20%22%23[BH]%24%13([BH]%12%16%17[BH]%18%20%24[B]%19%212%22I)[CH]%1473%23)[CH]261[CH]14%15[BH]%1052[BH]%11891.[Cs+]
• Title of publication: Unfairly Forgotten Member of the Iodocarborane Family: Synthesis and Structural Characterization of 8-Iodo-1,2-dicarba-closo-dodecaborane, Its Precursors, and Derivatives.
• Authors of publication: Alexander V. Safronov; Yulia V. Sevryugina; Satish S. Jalisatgi; Robert D. Kennedy; Charles L. Barnes; M. Frederick Hawthorne
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 2629 - 2637
• a: 7.0784 ± 0.0007 Å
• b: 11.7918 ± 0.0011 Å
• c: 24.599 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2053.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No