Information card for entry 2016450

Structure parameters

• Chemical name: aquachloridobis(1,10-phenanthroline)cobalt(II) chloride dichloridobis(1,10-phenanthroline)cobalt(II) hexahydrate
• Formula: C48 H46 Cl4 Co2 N8 O7
• Calculated formula: C48 H42 Cl4 Co2 N8 O7
• Title of publication: Hydrogen-bonding and π‒π stacking interactions in aquachloridobis(1,10-phenanthroline)cobalt(II) chloride dichloridobis(1,10-phenanthroline)cobalt(II) hexahydrate
• Authors of publication: Janice M. Rubin-Preminger; Leonid Kozlov; Israel Goldberg
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m83 - m86
• a: 14.0905 ± 0.0002 Å
• b: 23.9088 ± 0.0003 Å
• c: 14.2504 ± 0.0002 Å
• α: 90°
• β: 98.7921 ± 0.0007°
• γ: 90°
• Cell volume: 4744.36 ± 0.11 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1148
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.1789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes