Information card for entry 7052670

Structure parameters

• Common name: N,N-diethyl-1,3-propanediamine biphenyldithiolate cadmium(ii)
• Chemical name: N,N-diethyl-1,3-propanediamine biphenyldithiolate cadmium(II)
• Formula: C19 H26 Cd N2 S2
• Calculated formula: C19 H26 Cd N2 S2
• Title of publication: Thermodynamically controlled coordination-engineering of novel 2D cadmium thiolate coordination polymers
• Authors of publication: Louvain, Nicolas; Takashima, Yohei; Kitagawa, Susumu; Furukawa, Shuhei
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 6
• Pages of publication: 1265
• a: 8.2439 ± 0.0003 Å
• b: 21.1076 ± 0.0009 Å
• c: 22.4715 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3910.2 ± 0.3 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93.15 K
• Number of distinct elements: 5
• 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: 0.032
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No