Information card for entry 7056442

Structure parameters

• Formula: C20 H32 Co N6 O7
• Calculated formula: C20 H34 Co N6 O9
• Title of publication: Crystal engineering of a series of complexes and coordination polymers based on pyrazole-carboxylic acid ligands
• Authors of publication: Radi, Smaail; El-Massaoudi, Mohamed; Benaissa, Houria; Adarsh, N. N.; Ferbinteanu, Marilena; Devlin, Eamonn; Sanakis, Yiannis; Garcia, Yann
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 16
• Pages of publication: 8232 - 8241
• a: 15.1068 ± 0.0006 Å
• b: 9.9563 ± 0.0005 Å
• c: 17.5608 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2641.3 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.17
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.2068
• Weighted residual factors for all reflections included in the refinement: 0.2958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No