Information card for entry 2225896

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(acetato-κ^2^<i>O</i>,<i>O</i>')(methanol- κ<i>O</i>)cadmium(II)]-μ-[1,2-bis(1<i>H</i>-benzimidazol-2-yl)ethane]- κ^2^<i>N</i>^3^:<i>N</i>^3'^-[(acetato-κ^2^<i>O</i>,<i>O</i>')(methanol- κ<i>O</i>)cadmium(II)]-di-μ-chlorido]
• Formula: C22 H28 Cd2 Cl2 N4 O6
• Calculated formula: C22 H28 Cd2 Cl2 N4 O6
• SMILES: [Cd]12([OH]C)(OC(=[O]2)C)([Cl][Cd]2([Cl]1)(OC(=[O]2)C)([OH]C)[n]1c2ccccc2[nH]c1CCc1nc2ccccc2[nH]1)[n]1c2ccccc2[nH]c1CCc1[n](c2ccccc2[nH]1)[Cd]12([Cl][Cd]3([Cl]2)(OC(=[O]3)C)[OH]C)(OC(=[O]1)C)[OH]C
• Title of publication: <i>catena</i>-Poly[[(acetato-κ^2^<i>O</i>,<i>O</i>')(methanol-κ<i>O</i>)cadmium(II)]-μ-[1,2-bis(1<i>H</i>-benzimidazol-2-yl)ethane]-κ^2^<i>N</i>^3^:<i>N</i>^3'^-[(acetato-κ^2^<i>O</i>,<i>O</i>')(methanol-κ<i>O</i>)cadmium(II)]-di-μ-chlorido]
• Authors of publication: Yang, Huai-Xia; Zhang, Jun; Ding, Ya-Nan; Meng, Xiang-Ru
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m578
• a: 7.3983 ± 0.0015 Å
• b: 9.6391 ± 0.0019 Å
• c: 10.228 ± 0.002 Å
• α: 96.79 ± 0.03°
• β: 98.15 ± 0.03°
• γ: 90.45 ± 0.03°
• Cell volume: 716.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes