Information card for entry 7114865

Structure parameters

• Formula: C14 H15 B Co N6
• Calculated formula: C14 H15 B Co N6
• SMILES: [BH]12n3ccc[n]3[Co]3456([n]7cccn17)([n]1cccn21)[cH]1[cH]4[cH]6[cH]5[cH]31
• Title of publication: (η5-Cyclopentadienyl)(κ3 -hydrotris(pyrazolyl)borate)cobalt(ii)—the first high-spin cobalt organometallic complexElectronic supplementary information (ESI) available: full characterisation data for all compounds. See http://www.rsc.org/suppdata/cc/b1/b105661c/
• Authors of publication: Brunker, Tim J.; Barlow, Stephen; O’Hare, Dermot
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 20
• Pages of publication: 2052
• a: 8.1066 ± 0.0003 Å
• b: 10.3543 ± 0.0003 Å
• c: 17.9336 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1505.31 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P c m n
• Hall space group symbol: -P 2n 2ac
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No