Information card for entry 7700777

Structure parameters

• Formula: C18 H18 Cl2 Cu2 N4 O2
• Calculated formula: C18 H18 Cl2 Cu2 N4 O2
• Title of publication: Monitoring fragmentation and oligomerization of a di-μ-methoxo bridged copper(ii) complex: structure, mass spectrometry, magnetism and DFT studies.
• Authors of publication: Shi, Xing-Xing; Chen, Qiu-Jie; Chen, Xue-Li; Zhang, Yuexing; Kurmoo, Mohamedally; Zeng, Ming-Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 34
• Pages of publication: 13094 - 13100
• a: 5.9728 ± 0.0002 Å
• b: 8.7306 ± 0.0005 Å
• c: 9.9516 ± 0.0005 Å
• α: 64.636 ± 0.005°
• β: 77.246 ± 0.004°
• γ: 84.317 ± 0.004°
• Cell volume: 457.34 ± 0.04 ų
• Cell temperature: 90.15 K
• Ambient diffraction temperature: 90.15 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: 0.031
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No