Information card for entry 7027291

Structure parameters

• Formula: C25 H21 B Cl2 Co F6 N9 P
• Calculated formula: C25 H21 B Cl2 Co F6 N9 P
• SMILES: [Co]12345[n]6n(ccc6c6[n]1cccc6)[BH](n1[n]2c(cc1)c1[n]3cccc1)n1[n]4c(cc1)c1[n]5cccc1.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Effects of metal co-ordination geometry on self-assembly: a monomeric complex with trigonal prismatic metal co-ordination vs. tetrameric complexes with octahedral metal co-ordination
• Authors of publication: Paul, Rowena L.; Amoroso, Angelo J.; Jones, Peter L.; Couchman, Samantha M.; Reeves, Zoe R.; Rees, Leigh H.; Jeffery, John C.; McCleverty, Jon A.; Ward, Michael D.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 10
• Pages of publication: 1563
• a: 11.24 ± 0.002 Å
• b: 12.224 ± 0.003 Å
• c: 12.359 ± 0.003 Å
• α: 62.36 ± 0.02°
• β: 77.69 ± 0.02°
• γ: 85.73 ± 0.02°
• Cell volume: 1469.1 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1372
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections: 0.2078
• Weighted residual factors for significantly intense reflections: 0.1733
• Goodness-of-fit parameter for all reflections: 1.009
• Goodness-of-fit parameter for significantly intense reflections: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No