Information card for entry 8105516

Structure parameters

• Formula: C40 H24 Co N4 O9
• Calculated formula: C40 H24 Co N4 O9
• SMILES: [Co]123([n]4c5c6[n]1cccc6ccc5ccc4)([n]1cccc4c1c1[n]2cccc1cc4)[O]=C(O3)c1cc(Oc2cc(c(cc2)C(=O)[O-])C(=O)O)cc(c1)C(=O)O
• Title of publication: Crystal structure of (2-carboxy-4-(3-carboxy-5-carboxylatophenoxy)benzoato-κ2 O,O′)bis(1,10-phenantroline-κ2 N,N′)cobalt(II), C40H24N4O9Co
• Authors of publication: Luo, Jie; Gu, Guang-Na; Wang, Xiao-Wei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 6
• Pages of publication: 1543 - 1545
• a: 11.5623 ± 0.0009 Å
• b: 11.5732 ± 0.0012 Å
• c: 13.4379 ± 0.0011 Å
• α: 82.003 ± 0.008°
• β: 77.597 ± 0.007°
• γ: 76.048 ± 0.008°
• Cell volume: 1697.1 ± 0.3 ų
• Cell temperature: 286.4 ± 0.1 K
• Ambient diffraction temperature: 286.4 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No