Information card for entry 4517056

Structure parameters

• Formula: C36 H80 B40 Cl2 Co N4 O6
• Calculated formula: C36 H80 B40 Cl2 Co N4 O6
• SMILES: [BH]1234[BH]567[BH]891[BH]1%103[BH]3%11%12[C]%1341([BH]125[BH]246[CH]3%131[BH]1%122[BH]8%10%11[BH]7941)[C@H](c1cc[n](cc1)[Co](Cl)([n]1ccc(cc1)[C@H]([C]1234[BH]567[BH]891[BH]1%102[BH]2%113[CH]347[BH]475[BH]568[BH]691[BH]1%102[BH]%1134[BH]7561)O)(Cl)([n]1ccc([C@H]([C]2345[BH]678[BH]9%102[BH]2%113[BH]3%124[CH]458[BH]586[BH]679[BH]7%102[BH]2%113[BH]%1245[BH]8672)O)cc1)[n]1ccc([C@@H]([C]2345[BH]678[BH]9%102[BH]2%113[BH]3%124[CH]458[BH]586[BH]679[BH]7%102[BH]2%113[BH]%1245[BH]8672)O)cc1)O.CCO.CCO
• Title of publication: Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes
• Authors of publication: Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 5720
• a: 31.214 ± 0.0016 Å
• b: 15.642 ± 0.0007 Å
• c: 13.545 ± 0.0006 Å
• α: 90°
• β: 93.772 ± 0.002°
• γ: 90°
• Cell volume: 6599 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.195
• Residual factor for significantly intense reflections: 0.1357
• Weighted residual factors for significantly intense reflections: 0.3308
• Weighted residual factors for all reflections included in the refinement: 0.352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.477
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No