Information card for entry 7231569

Structure parameters

• Formula: C12 H26 Cl2 N2 O4 Pd
• Calculated formula: C12 H26 Cl2 N2 O4 Pd
• Title of publication: Structural and conformational changes in [M(1,10-diaza-18-crown-6)Cl2] (M = Pd, Pb) complexes: a crystallographic and theoretical study
• Authors of publication: Arenaza-Corona, Antonino; Morales-Morales, David; Hernández-Ahuactzi, Iran F.; Barba, Victor
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 42
• Pages of publication: 6733
• a: 6.5577 ± 0.0003 Å
• b: 7.8482 ± 0.0003 Å
• c: 7.8785 ± 0.0003 Å
• α: 83.909 ± 0.003°
• β: 81.02 ± 0.003°
• γ: 87.767 ± 0.003°
• Cell volume: 398.14 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0264
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No