Information card for entry 2020488

Structure parameters

• Chemical name: <i>catena</i>-Poly[bis[4-bromo-2-({[2-(pyrrolidin-1-yl)ethyl]imino}methyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]di-μ~3~-chlorido-di-μ~2~-chlorido-bis(methanol-κ<i>O</i>)tricadmium(II)]
• Formula: C28 H40 Br2 Cd3 Cl4 N4 O4
• Calculated formula: C28 H40 Br2 Cd3 Cl4 N4 O4
• SMILES: [Cd]12([OH]C)([OH]C)([Cl][Cd]34([Cl]1)Oc1c(C=[N]3CC[N]34CCCC3)cc(Br)cc1)[Cl][Cd]13([Cl]2)Oc2c(C=[N]3CC[N]31CCCC3)cc(Br)cc2
• Title of publication: Crystal structure and photoluminescence properties of a new Cd^II^ coordination polymer <i>catena</i>-poly[bis[4-bromo-2-({[2-(pyrrolidin-1-yl)ethyl]imino}methyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]di-μ~3~-chlorido-di-μ~2~-chlorido-bis(methanol-κ<i>O</i>)tricadmium(II)]
• Authors of publication: Yahsi, Yasemin; Ozbek, Hatice; Aygun, Muhittin; Kara, Hulya
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 5
• Pages of publication: 426 - 431
• a: 8.1048 ± 0.0004 Å
• b: 10.3928 ± 0.0006 Å
• c: 11.574 ± 0.0006 Å
• α: 100.957 ± 0.005°
• β: 96.178 ± 0.004°
• γ: 99.694 ± 0.005°
• Cell volume: 933.59 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0343
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes