Information card for entry 7230474

Structure parameters

• Formula: C28 H32 N2 Ni3 O22
• Calculated formula: C28 H24 N2 Ni3 O22
• Title of publication: Four 3D coordination polymers based on layers with single syn‒anti carboxylate bridges: synthesis, structures, and magnetic properties
• Authors of publication: Gao, Wei; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, Qing-Yu
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 25
• Pages of publication: 14101
• a: 16.699 ± 0.004 Å
• b: 13.51 ± 0.003 Å
• c: 7.1625 ± 0.0018 Å
• α: 90°
• β: 100.626 ± 0.009°
• γ: 90°
• Cell volume: 1588.2 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0649
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No