Information card for entry 4505531

Structure parameters

• Formula: C11 H26 Cu Mg N O13
• Calculated formula: C11 H26 Cu Mg N O13
• Title of publication: Topologically Unique 2D Heterometallic CuII/Mg Coordination Polymer: Synthesis, Structural Features, and Catalytic Use in Alkane Hydrocarboxylation
• Authors of publication: Kirillov, Alexander M.; Karabach, Yauhen Y.; Kirillova, Marina V.; Haukka, Matti; Pombeiro, Armando J. L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 1069
• a: 10.472 ± 0.0003 Å
• b: 10.561 ± 0.0003 Å
• c: 11.059 ± 0.0004 Å
• α: 96.271 ± 0.002°
• β: 114.843 ± 0.002°
• γ: 115.244 ± 0.001°
• Cell volume: 939.88 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0509
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No