Information card for entry 2237073

Structure parameters

• Chemical name: Di-μ~3~-acetato-bis{μ-6,6'-diethoxy-2,2'-[propane-1,2- diylbis(nitrilomethanylylidene)]diphenolato}dicadmiumdisodium ethanol 0.67-solvate
• Formula: C47.33 H58 Cd2 N4 Na2 O12.67
• Calculated formula: C47.3333 H58 Cd2 N4 Na2 O12.6667
• SMILES: [Cd]12345[O]6[Na]789%10[O](CC)c%11cccc(c6%11)C=[N]4C(C)C[N]5=Cc4cccc5[O]([Na]6%11([O]1c45)([O]27C(=[O]3)C)[O]1[Cd]23([O]9c4c([O]8CC)cccc4C=[N]2C(C)C[N]3=Cc2cccc([O]6CC)c12)[O]=C([O]%10%11)C)CC.OCC
• Title of publication: Di-μ~3~-acetato-bis{μ-6,6'-diethoxy-2,2'-[propane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}dicadmiumdisodium ethanol 0.67-solvate
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1548 - m1549
• a: 13.3568 ± 0.0008 Å
• b: 15.0271 ± 0.0009 Å
• c: 20.7493 ± 0.0013 Å
• α: 71.359 ± 0.002°
• β: 71.551 ± 0.002°
• γ: 89.253 ± 0.002°
• Cell volume: 3725.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0624
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes