Information card for entry 2019622

Structure parameters

• Chemical name: Dichloridobis(3,5-diphenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)cobalt(II) dichloromethane hemisolvate
• Formula: C30.5 H25 Cl3 Co N4
• Calculated formula: C30.5 H25 Cl3 Co N4
• SMILES: c1ccccc1c1cc([nH][n]1[Co]([n]1[nH]c(c2ccccc2)cc1c1ccccc1)(Cl)Cl)c1ccccc1.C(Cl)Cl
• Title of publication: Packing forces in dichloridobis(3,5-diphenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)cobalt(II) dichloromethane hemisolvate
• Authors of publication: Nyamato, George S.; Ojwach, Stephen O.; Akerman, Matthew P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• a: 13.798 ± 0.0009 Å
• b: 20.8958 ± 0.0016 Å
• c: 19.2954 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5563.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes