Information card for entry 7249806

Structure parameters

• Chemical name: [Co(C15N3H11)2](C6O4H2Cl2)0.5(C6O4HCl2)(C6O4Cl2)0.5(H2O)
• Formula: C42 H26 Cl4 Co N6 O9
• Calculated formula: C42 H26 Cl4 Co N6 O9
• Title of publication: Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks
• Authors of publication: Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 7
• Pages of publication: 931 - 938
• a: 8.9669 ± 0.0002 Å
• b: 10.9875 ± 0.0002 Å
• c: 20.9096 ± 0.0004 Å
• α: 85.627 ± 0.001°
• β: 80.052 ± 0.002°
• γ: 85.213 ± 0.002°
• Cell volume: 2018.03 ± 0.07 ų
• Cell temperature: 292.6 ± 0.3 K
• Ambient diffraction temperature: 292.6 ± 0.3 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: 0.0715
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No