Information card for entry 4506043

Structure parameters

• Formula: C42 H46 Cd N4 O10
• Calculated formula: C42 H46 Cd N4 O10
• SMILES: [Cd]([n]1ccccc1)([n]1ccccc1)(OC(=O)[C@H]1CC[C@H](CN2C(=O)c3ccccc3C2=O)CC1)(OC(=O)[C@H]1CC[C@H](CN2C(=O)c3ccccc3C2=O)CC1)([OH2])[OH2]
• Title of publication: Metal(II) Complexes Derived from Conformation Flexible Cyclic Imide Tethered Carboxylic Acids: Syntheses, Supramolecular Structures, and Molecular Properties
• Authors of publication: Singh, Devendra; Baruah, Jubaraj B.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 2109
• a: 5.5386 ± 0.0002 Å
• b: 13.1183 ± 0.0004 Å
• c: 15.2664 ± 0.0005 Å
• α: 112.863 ± 0.002°
• β: 94.311 ± 0.002°
• γ: 100.602 ± 0.002°
• Cell volume: 991.36 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No