Information card for entry 7207833

Structure parameters

• Formula: C18 H15 Cu N2 O7 P S
• Calculated formula: C18 H15 Cu N2 O7 P S
• Title of publication: New copper aryl phosphonates with auxiliary nitrogen ligands
• Authors of publication: Zima, Vítězslav; Svoboda, Jan; Yang, Ya-Ching; Wang, Sue-Lein
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 3469
• a: 11.3822 ± 0.0002 Å
• b: 11.1231 ± 0.0002 Å
• c: 15.3382 ± 0.0002 Å
• α: 90°
• β: 105.212 ± 0.001°
• γ: 90°
• Cell volume: 1873.86 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No