Information card for entry 1504326

Structure parameters

• Formula: C6 H25 B18 Co O
• Calculated formula: C6 H25 B18 Co O
• SMILES: [Co]123456789[CH]%10%11%12[CH]%13%141[BH]1%154[B]4%165([O](CC)[B]5%17%188[BH]8%197[CH]7%203[CH]3%212[BH]295[BH]59%18[BH]%18%17%19[BH]%178%20[BH]873[BH]%2125[BH]9%18%178)[BH]26%10[BH]35%16[BH]6%154[BH]4%141[BH]1%11%13[BH]%1223[BH]5641
• Title of publication: Synthesis and spectroelectrochemistry of N-cobaltacarborane porphyrin conjugates.
• Authors of publication: Hao, Erhong; Zhang, Min; E, Wenbo; Kadish, Karl M.; Fronczek, Frank R.; Courtney, Brandy H.; Vicente, M Graça H
• Journal of publication: Bioconjugate chemistry
• Year of publication: 2008
• Journal volume: 19
• Journal issue: 11
• Pages of publication: 2171 - 2181
• a: 6.9172 ± 0.001 Å
• b: 11.976 ± 0.002 Å
• c: 22.298 ± 0.004 Å
• α: 90°
• β: 96.277 ± 0.008°
• γ: 90°
• Cell volume: 1836.1 ± 0.5 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No