Information card for entry 1508424

Structure parameters

• Formula: C14 H27.75 B18 Br0.75 Cl1.25 Co S8
• Calculated formula: C14 H27.752 B18 Br0.752 Cl1.248 Co S8
• SMILES: [Co]12345678([CH]9%10%11[CH]%12%131[BH]1%14%11[BH]%11%15%10[BH]%1029[B]294(Br)[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: 8.7106 ± 0.0016 Å
• b: 13.441 ± 0.002 Å
• c: 14.742 ± 0.003 Å
• α: 106.991 ± 0.003°
• β: 101.784 ± 0.003°
• γ: 99.504 ± 0.003°
• Cell volume: 1568.6 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2279
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No