Information card for entry 7020683

Structure parameters

• Common name: Diiodo(1,10-dioxa-4,7,13,16- tetrathiacyclooctadecane)calcium(ii) dichloromethane solvate
• Chemical name: Diiodo(1,10-dioxa-4,7,13,16-tetrathiacyclooctadecane)calcium(II) dichloromethane solvate
• Formula: C12.5 H25 Ca Cl I2 O2 S4
• Calculated formula: C12.5 H25 Ca Cl I2 O2 S4
• Title of publication: s-Block chalcogenoether chemistry‒thio- and selenoether coordination with hard Group 2 ions.
• Authors of publication: Farina, Paolo; Levason, William; Reid, Gillian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 1
• Pages of publication: 89 - 99
• a: 17.076 ± 0.004 Å
• b: 8.297 ± 0.0018 Å
• c: 15.745 ± 0.004 Å
• α: 90°
• β: 91.464 ± 0.012°
• γ: 90°
• Cell volume: 2230 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0876
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No