Information card for entry 8105186

Structure parameters

• Formula: C34 H26 Co N4 O5
• Calculated formula: C34 H26 Co N4 O5
• SMILES: [Co]123(OC(=O)c4[n]2c(ccc4)c2ccccc2)(OC(=O)c2[n]3c(c3ccccc3)ccc2)[n]2c(c3[n]1cccc3)cccc2.O
• Title of publication: The crystal structure of [(2,2′-bipyridine-k2 N,N)-bis(6-phenylpyridine-2-carboxylato-k2 N,O)cobalt(II)]-monohydrate, C36H26N4O5Co
• Authors of publication: Tai, Xi-Shi; Xia, Yu-Pei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 2
• Pages of publication: 225 - 227
• a: 29.3826 ± 0.0017 Å
• b: 10.3153 ± 0.0005 Å
• c: 19.9407 ± 0.0012 Å
• α: 90°
• β: 107.263 ± 0.006°
• γ: 90°
• Cell volume: 5771.6 ± 0.6 ų
• Cell temperature: 199.99 ± 0.1 K
• Ambient diffraction temperature: 199.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No