Information card for entry 2208265

Structure parameters

• Chemical name: Di-μ-bromo-2κ^2^Br:2'κ^2^Br-bis[bis(μ-acetylacetonato-1κO:2κO')bromo- 2κBr-bis(tetrahydrofuran-1κO)cadmium(II)nickel(II)]
• Formula: C36 H60 Br4 Cd2 Ni2 O12
• Calculated formula: C36 H60 Br4 Cd2 Ni2 O12
• SMILES: C1([O]2[Cd]3([O](C(=CC(=[O]4)C)C)[Ni]42([O]=C(C=1)C)([O]1CCCC1)[O]1CCCC1)([Br][Cd]1([O](C(=CC(=[O]2)C)C)[Ni]24([O]1C(=CC(=[O]4)C)C)([O]1CCCC1)[O]1CCCC1)([Br]3)Br)Br)C
• Title of publication: Di-μ-bromo-2κ^2^<i>Br</i>:2'κ^2^<i>Br</i>-bis[bis(μ-acetylacetonato-1κ<i>O</i>:2κ<i>O</i>')bromo-2κ<i>Br</i>-bis(tetrahydrofuran-1κ<i>O</i>)cadmium(II)nickel(II)]
• Authors of publication: Döring, Manfred; Hahn, Gabriela; Imhof, Wolfgang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m429 - m431
• a: 10.143 ± 0.003 Å
• b: 11.378 ± 0.012 Å
• c: 21.483 ± 0.002 Å
• α: 90°
• β: 99.66 ± 0.03°
• γ: 90°
• Cell volume: 2444 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1697
• Weighted residual factors for all reflections included in the refinement: 0.195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No