Information card for entry 1508423

Structure parameters

• Formula: C14 H27.91 B18 Cl2.09 Co S8
• Calculated formula: C14 H27.907 B18 Cl2.093 Co S8
• SMILES: [Co]12345678([CH]9%10%11[CH]%12%131[BH]1%14%11[BH]%11%15%10[BH]%1029[B]294(Cl)[BH]%163%12[BH]3%13%14[BH]41%15[BH]%11%102[BH]9%1634)[CH]123[CH]495[BH]5%103[BH]3%112[BH]261[B]168(Cl)[BH]874[BH]495[BH]5%10%11[BH]321[BH]6845.S1CCSC2=C1SC(S2)=C1SC2=C(S1)SCCS2
• Title of publication: New Fulvalenium Salts of Cobalt Bis(dicarbollide): Crystal Structures and Electrical Conductivities
• Authors of publication: Kazheva, Olga N.; Aleksandrov, Grigory G.; Kravchenko, Andrey V.; Starodub, Vladimir A.; Lobanova, Irina A.; Kosenko, Irina D.; Sivaev, Igor B.; Bregadze, Vladimir I.; Buravov, Lev I.; Dyachenko, Oleg A.
• Journal of publication: Crystals
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 1
• Pages of publication: 43 - 55
• a: 8.8565 ± 0.0007 Å
• b: 13.349 ± 0.001 Å
• c: 14.654 ± 0.001 Å
• α: 106.617 ± 0.002°
• β: 102.684 ± 0.002°
• γ: 98.963 ± 0.002°
• Cell volume: 1574.7 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.114
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No