Information card for entry 4339479

Structure parameters

• Formula: C42 H38 B Br Co N4
• Calculated formula: C42 H38 B Br Co N4
• SMILES: c12ccccc1[N]13c4c(cccc4)[NH2][Co]3(Br)([NH2]2)[NH2]c2ccccc12.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Tripodal phenylamine-based ligands and their CoII complexes.
• Authors of publication: Jones, Matthew B.; MacBeth, Cora E.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 20
• Pages of publication: 8117 - 8119
• a: 34.5691 ± 0.0018 Å
• b: 34.5691 ± 0.0018 Å
• c: 13.4536 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16077.4 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1028
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No