Information card for entry 7020687

Structure parameters

• Common name: diiodo(1,4,10,13-tetraoxa-7,16- diselenacyclooctadecane)calcium(ii)
• Chemical name: diiodo(1,4,10,13-tetraoxa-7,16-diselenacyclooctadecane)calcium(II)
• Formula: C12 H24 Ca I2 O4 Se2
• Calculated formula: C12 H24 Ca I2 O4 Se2
• SMILES: C1C[Se]2CC[O]3CC[O]4CC[Se]5CC[O]6CC[O]1[Ca]23456(I)(I)
• 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: 10.808 ± 0.003 Å
• b: 11.798 ± 0.003 Å
• c: 15.203 ± 0.004 Å
• α: 90°
• β: 93.04 ± 0.007°
• γ: 90°
• Cell volume: 1935.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No