Information card for entry 2217739

Structure parameters

• Chemical name: {2,2'-[1,1'-(3-Azapentane-1,5- diyldinitrilo)diethylidyne]diphenolato}(piperidine)cobalt(III) tetraphenylborate
• Formula: C49 H54 B Co N4 O2
• Calculated formula: C49 H54 B Co N4 O2
• SMILES: [Co]1234([NH](CC[N]1=C(c1c(O4)cccc1)C)CC[N]2=C(c1c(O3)cccc1)C)[NH]1CCCCC1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: {2,2'-[1,1'-(3-Azapentane-1,5-diyldinitrilo)diethylidyne]diphenolato}(piperidine)cobalt(III) tetraphenylborate
• Authors of publication: Meghdadi, Soraia; Schenk, Kurt J.; Amirnasr, Mehdi; Fadaee, Farzaneh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: m479 - m480
• a: 11.1188 ± 0.0007 Å
• b: 16.8783 ± 0.001 Å
• c: 23.3398 ± 0.0013 Å
• α: 91.222 ± 0.005°
• β: 96.054 ± 0.005°
• γ: 100.914 ± 0.005°
• Cell volume: 4273.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0946
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes