Information card for entry 8105759

Structure parameters

• Formula: C19 H18 Cl2 Co0.5 N3 O3
• Calculated formula: C19 H18 Cl2 Co0.5 N3 O3
• Title of publication: Crystal structure of diaqua-bis(3,5-dichloroisonicotinato-κ1 O)-bis(1,3-di(pyridin-4-yl)propane-κ1 N)cobalt(II), C38H36Cl4N6O6Co
• Authors of publication: Ling-Yun, Xin; Zhou-Ru, Ji; Rong-Rong, Guo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 3
• Pages of publication: 495 - 497
• a: 9.2687 ± 0.0004 Å
• b: 9.7747 ± 0.0006 Å
• c: 12.0131 ± 0.0006 Å
• α: 87.947 ± 0.004°
• β: 82.062 ± 0.004°
• γ: 67.258 ± 0.005°
• Cell volume: 993.95 ± 0.1 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: 0.0461
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No