Information card for entry 1569439

Structure parameters

• Formula: C24 H24 Cd Cl2 N8 O12
• Calculated formula: C24 H24 Cd Cl2 N8 O12
• SMILES: n1cc(ccc1)C(N)=[O][Cd]1([n]2cc(ccc2)C(=O)N)([n]2cc(ccc2)C(=O)N)([n]2cc(ccc2)C(=O)N)[n]2cc(ccc2)C(N)=[O][Cd]([n]2cc(ccc2)C(=[O]1)N)([n]1cc(ccc1)C(=O)N)[n]1cc(ccc1)C(N)=O.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: The Anion Impact on Dimensionality of Cadmium(II) Complexes with Nicotinamide
• Authors of publication: Soldin, Željka; Kukovec, Boris-Marko; Kovačić, Milica; Đaković, Marijana; Popović, Zora
• Journal of publication: Chemistry
• Year of publication: 2023
• Journal volume: 5
• Journal issue: 2
• Pages of publication: 1357 - 1368
• a: 7.5524 ± 0.0001 Å
• b: 12.9826 ± 0.0002 Å
• c: 16.088 ± 0.0002 Å
• α: 90°
• β: 92.296 ± 0.001°
• γ: 90°
• Cell volume: 1576.16 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No