Information card for entry 7204741

Structure parameters

• Formula: C10 H10 Cl6 Co N2
• Calculated formula: C10 H10 Cl6 Co N2
• SMILES: [Co](Cl)(Cl)([Cl-])[Cl-].Clc1c[nH+]ccc1.Clc1c[nH+]ccc1
• Title of publication: Involving metals in halogen‒halogen interactions: second-sphere Lewis acid ligands for perhalometallate ions (M‒XX'‒C)
• Authors of publication: Lee Brammer; Guillermo Mínguez Espallargas; Harry Adams
• Journal of publication: CrystEngComm
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 60
• Pages of publication: 343 - 345
• a: 6.7526 ± 0.0012 Å
• b: 8.1793 ± 0.0015 Å
• c: 14.806 ± 0.003 Å
• α: 92.114 ± 0.004°
• β: 93.148 ± 0.004°
• γ: 99.358 ± 0.004°
• Cell volume: 804.8 ± 0.3 ų
• Cell temperature: 150 ± 5 K
• Ambient diffraction temperature: 150 ± 5 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: 0.0974
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No