Information card for entry 2311404

Structure parameters

• Chemical name: (μ~2~-Adipato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''')bis[aqua(benzene-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')chloridocadmium]
• Formula: C18 H28 Cd2 Cl2 N4 O6
• Calculated formula: C18 H28 Cd2 Cl2 N4 O6
• SMILES: C1(=[O][Cd]2([NH2]c3c(cccc3)[NH2]2)(O1)(Cl)[OH2])CCCCC1=[O][Cd]2([OH2])(Cl)(O1)[NH2]c1c([NH2]2)cccc1
• Title of publication: (μ₂-Adipato-κ⁴<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''')bis-[aqua-(benzene-1,2-di-amine-κ²<i>N</i>,<i>N</i>')-chlorido-cadmium]: crystal structure and Hirshfeld surface analysis.
• Authors of publication: Rahman, Wannur Sofiasalamah Khairiah A.; Ahmad, J.; Halim, Siti Nadiah Abdul; Jotani, Mukesh M.; Tiekink, Edward R. T.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 9
• Pages of publication: 1363 - 1367
• a: 20.471 ± 0.0008 Å
• b: 5.5578 ± 0.0002 Å
• c: 10.791 ± 0.0003 Å
• α: 90°
• β: 98.122 ± 0.003°
• γ: 90°
• Cell volume: 1215.42 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0355
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No