Information card for entry 7210269

Structure parameters

• Formula: C11 H20 Ca Cu N2 O13 S
• Calculated formula: C11 H20 Ca Cu N2 O13 S
• Title of publication: Heterometallic coordination polymers based on dipeptide schiff base Cu(ii) metalloligand: synthesis, structures, and magnetic properties
• Authors of publication: Zhang, Jinhong; Cheng, Shaomin; Wang, Xiangfei; Yuan, Limin; Xue, Mingqiang; Wang, Yang; Liu, Wenlong
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 30
• Pages of publication: 6074
• a: 8.927 ± 0.002 Å
• b: 9.233 ± 0.002 Å
• c: 12.683 ± 0.003 Å
• α: 94.158 ± 0.004°
• β: 96.911 ± 0.004°
• γ: 104.064 ± 0.005°
• Cell volume: 1001 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No