Information card for entry 7231568

Structure parameters

• Formula: C12 H26 Cl2 N2 O4 Pb
• Calculated formula: C12 H26 Cl2 N2 O4 Pb
• 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: 7.4645 ± 0.00019 Å
• b: 7.6682 ± 0.0002 Å
• c: 16.3035 ± 0.0005 Å
• α: 90°
• β: 100.063 ± 0.003°
• γ: 90°
• Cell volume: 918.84 ± 0.04 ų
• Cell temperature: 100.29 ± 0.1 K
• Ambient diffraction temperature: 100.29 ± 0.1 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: 0.0405
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0418
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No