Information card for entry 8106697

Structure parameters

• Formula: C22 H22 Cl Co N4 O10
• Calculated formula: C22 H22 Cl Co N4 O10
• SMILES: c1cccc2C3(c4cccc[n]4[Co]45([n]12)([n]1ccccc1C(c1cccc[n]41)(O5)O)O3)O.Cl(=O)(=O)(=O)[O-].O.O
• Title of publication: Crystal structure of bis(hydroxydi(pyridin-2-yl)methanolato-κ3 N,N′,O)cobalt(III) perchlorate dihydrate, C22H22ClCoN4O10
• Authors of publication: Liu, Feng; Li, Weihua; Lu, Hui; Sun, Jianhua
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 5
• Pages of publication: 843 - 844
• a: 8.4566 ± 0.0007 Å
• b: 11.9163 ± 0.0007 Å
• c: 12.4333 ± 0.0009 Å
• α: 99.77 ± 0.001°
• β: 103.49 ± 0.001°
• γ: 90.29 ± 0.001°
• Cell volume: 1199.38 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0341
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No