Information card for entry 7703970

Structure parameters

• Formula: C6 H25 K N O9 P S
• Calculated formula: C6 H25 K N O9 P S
• Title of publication: Synthesis and structural studies of copper(ii) complex with N₂S₂ based N-substituted pendant phosphonic acid arms.
• Authors of publication: Taschner, Ian S.; Aubuchon, Ethan; Schrage, Briana R.; Ziegler, Christopher J.; van der Est, Art
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 3545 - 3552
• a: 18.4319 ± 0.0011 Å
• b: 8.4812 ± 0.0005 Å
• c: 10.0288 ± 0.0005 Å
• α: 90°
• β: 100.191 ± 0.004°
• γ: 90°
• Cell volume: 1543.01 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0743
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No