Information card for entry 1519146

Structure parameters

• Formula: C74 H82 B2 Cl6 Co N12
• Calculated formula: C74 H82 B2 Cl6 Co N12
• SMILES: [Co]1234([n]5n(c(c(c5C)Cc5ccccc5)C)[BH](n5[n]1c(c(c5C)Cc1ccccc1)C)n1c(c(c([n]31)C)Cc1ccccc1)C)[n]1n(c(C)c(c1C)Cc1ccccc1)[BH](n1[n]2c(C)c(Cc2ccccc2)c1C)n1c(c(c([n]41)C)Cc1ccccc1)C.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: C74H81B2Cl6CoN12
• Authors of publication: McCleverty, Jon A.; Coles, Simon J.; Malik, K.M. Abdul; Hursthouse, Michael B.; Lamond, Steven J.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1994
• Pages of publication: 1035
• a: 13.114 ± 0.002 Å
• b: 13.235 ± 0.003 Å
• c: 22.903 ± 0.001 Å
• α: 96.18 ± 0.03°
• β: 96.19 ± 0.01°
• γ: 113.35 ± 0.02°
• Cell volume: 3578.7 ± 1.2 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: 0.098
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No