Information card for entry 8107275

Structure parameters

• Formula: C36 H36 Cd3 I2 N4 O8
• Calculated formula: C36 H36 Cd3 I2 N4 O8
• SMILES: [Cd]1234([O]5[Cd]6789[O]1%10[Cd]1%11(I)([N](=Cc%12cccc(OC)c%12%10)CC[N]2=Cc2cccc(OC)c2[O]461)[O]9c1c([O]%11C)cccc1C=[N]7CC[N]8=Cc1cccc([O]3C)c15)I
• Title of publication: Crystal structure of diiodido-bis(6,6′-dimethoxy-2,2′-(ethane-1,2-diylbis(nitrilomethanylylidene)) diphenolato)tricadmium(II), C36H36Cd3I2N4O8
• Authors of publication: Hu, Jin; Lu, Xin-Hua
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 6
• Pages of publication: 997 - 999
• a: 18.909 ± 0.004 Å
• b: 16.149 ± 0.003 Å
• c: 26.05 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7955 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.335
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No